4-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)butanamide;4-methyl-2-pyridin-2-yl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide;3-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide;1-propan-2-yl-3-[3-[2-(5-pyridin-2-yl-4H-pyrazol-3-yl)acetyl]phenyl]urea

C73H64N22O6S2 — CID 161166726

IUPAC4-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)butanamide;4-methyl-2-pyridin-2-yl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide;3-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide;1-propan-2-yl-3-[3-[2-(5-pyridin-2-yl-4H-pyrazol-3-yl)acetyl]phenyl]urea
SMILESCC(C)NC(=O)Nc1cccc(C(=O)CC2=NN=C(c3ccccn3)C2)c1.Cc1c(C(=O)Nc2n[nH]c(-c3ccccn3)n2)oc2ccccc12.Cc1nc(-c2ccccn2)sc1C(=O)NC1=NN=C(c2ccccn2)C1.O=C(CCCc1nc2ccccc2s1)Nc1n[nH]c(-c2ccccn2)n1
InChIInChI=1S/C20H21N5O2.C18H14N6OS.C18H16N6OS.C17H13N5O2/c1-13(2)22-20(27)23-15-7-5-6-14(10-15)19(26)12-16-11-18(25-24-16)17-8-3-4-9-21-17;1-11-16(26-18(21-11)13-7-3-5-9-20-13)17(25)22-15-10-14(23-24-15)12-6-2-4-8-19-12;25-15(9-5-10-16-20-12-6-1-2-8-14(12)26-16)21-18-22-17(23-24-18)13-7-3-4-11-19-13;1-10-11-6-2-3-8-13(11)24-14(10)16(23)20-17-19-15(21-22-17)12-7-4-5-9-18-12/h3-10,13H,11-12H2,1-2H3,(H2,22,23,27);2-9H,10H2,1H3,(H,22,24,25);1-4,6-8,11H,5,9-10H2,(H2,21,22,23,24,25);2-9H,1H3,(H2,19,20,21,22,23)
InChIKeyUQQGJQWPKCVQLT-UHFFFAOYSA-N
MW1409.60 g/mol
LogP12.89
Rot. Bonds18

About 4-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)butanamide;4-methyl-2-pyridin-2-yl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide;3-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide;1-propan-2-yl-3-[3-[2-(5-pyridin-2-yl-4H-pyrazol-3-yl)acetyl]phenyl]urea

4-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)butanamide;4-methyl-2-pyridin-2-yl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide;3-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide;1-propan-2-yl-3-[3-[2-(5-pyridin-2-yl-4H-pyrazol-3-yl)acetyl]phenyl]urea (PubChem CID 161166726) has the molecular formula C73H64N22O6S2 and a molecular weight of 1409.60 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)butanamide;4-methyl-2-pyridin-2-yl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide;3-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide;1-propan-2-yl-3-[3-[2-(5-pyridin-2-yl-4H-pyrazol-3-yl)acetyl]phenyl]urea.

Molecular Properties

Compound Name4-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)butanamide;4-methyl-2-pyridin-2-yl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide;3-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide;1-propan-2-yl-3-[3-[2-(5-pyridin-2-yl-4H-pyrazol-3-yl)acetyl]phenyl]urea
PubChem CID161166726
Molecular FormulaC73H64N22O6S2
Molecular Weight1409.60 g/mol
Exact Mass1408.48
IUPAC Name4-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)butanamide;4-methyl-2-pyridin-2-yl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide;3-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide;1-propan-2-yl-3-[3-[2-(5-pyridin-2-yl-4H-pyrazol-3-yl)acetyl]phenyl]urea
SMILESCC(C)NC(=O)Nc1cccc(C(=O)CC2=NN=C(c3ccccn3)C2)c1.Cc1c(C(=O)Nc2n[nH]c(-c3ccccn3)n2)oc2ccccc12.Cc1nc(-c2ccccn2)sc1C(=O)NC1=NN=C(c2ccccn2)C1.O=C(CCCc1nc2ccccc2s1)Nc1n[nH]c(-c2ccccn2)n1
InChIInChI=1S/C20H21N5O2.C18H14N6OS.C18H16N6OS.C17H13N5O2/c1-13(2)22-20(27)23-15-7-5-6-14(10-15)19(26)12-16-11-18(25-24-16)17-8-3-4-9-21-17;1-11-16(26-18(21-11)13-7-3-5-9-20-13)17(25)22-15-10-14(23-24-15)12-6-2-4-8-19-12;25-15(9-5-10-16-20-12-6-1-2-8-14(12)26-16)21-18-22-17(23-24-18)13-7-3-4-11-19-13;1-10-11-6-2-3-8-13(11)24-14(10)16(23)20-17-19-15(21-22-17)12-7-4-5-9-18-12/h3-10,13H,11-12H2,1-2H3,(H2,22,23,27);2-9H,10H2,1H3,(H,22,24,25);1-4,6-8,11H,5,9-10H2,(H2,21,22,23,24,25);2-9H,1H3,(H2,19,20,21,22,23)
InChIKeyUQQGJQWPKCVQLT-UHFFFAOYSA-N
XLogP12.89
TPSA381.45 Ų
H-Bond Donors7
H-Bond Acceptors23
Rotatable Bonds18
Heavy Atoms103
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001409.60
LogP ≤ 512.89
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1023

Analyze 4-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)butanamide;4-methyl-2-pyridin-2-yl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide;3-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide;1-propan-2-yl-3-[3-[2-(5-pyridin-2-yl-4H-pyrazol-3-yl)acetyl]phenyl]urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)butanamide;4-methyl-2-pyridin-2-yl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide;3-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide;1-propan-2-yl-3-[3-[2-(5-pyridin-2-yl-4H-pyrazol-3-yl)acetyl]phenyl]urea?
The IUPAC name of 4-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)butanamide;4-methyl-2-pyridin-2-yl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide;3-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide;1-propan-2-yl-3-[3-[2-(5-pyridin-2-yl-4H-pyrazol-3-yl)acetyl]phenyl]urea (CID 161166726) is 4-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)butanamide;4-methyl-2-pyridin-2-yl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide;3-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide;1-propan-2-yl-3-[3-[2-(5-pyridin-2-yl-4H-pyrazol-3-yl)acetyl]phenyl]urea.
What is the SMILES notation for 4-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)butanamide;4-methyl-2-pyridin-2-yl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide;3-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide;1-propan-2-yl-3-[3-[2-(5-pyridin-2-yl-4H-pyrazol-3-yl)acetyl]phenyl]urea?
The canonical SMILES for 4-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)butanamide;4-methyl-2-pyridin-2-yl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide;3-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide;1-propan-2-yl-3-[3-[2-(5-pyridin-2-yl-4H-pyrazol-3-yl)acetyl]phenyl]urea is CC(C)NC(=O)Nc1cccc(C(=O)CC2=NN=C(c3ccccn3)C2)c1.Cc1c(C(=O)Nc2n[nH]c(-c3ccccn3)n2)oc2ccccc12.Cc1nc(-c2ccccn2)sc1C(=O)NC1=NN=C(c2ccccn2)C1.O=C(CCCc1nc2ccccc2s1)Nc1n[nH]c(-c2ccccn2)n1.
What is the InChIKey of 4-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)butanamide;4-methyl-2-pyridin-2-yl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide;3-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide;1-propan-2-yl-3-[3-[2-(5-pyridin-2-yl-4H-pyrazol-3-yl)acetyl]phenyl]urea?
The InChIKey is UQQGJQWPKCVQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2.C18H14N6OS.C18H16N6OS.C17H13N5O2/c1-13(2)22-20(27)23-15-7-5-6-14(10-15)19(26)12-16-11-18(25-24-16)17-8-3-4-9-21-17;1-11-16(26-18(21-11)13-7-3-5-9-20-13)17(25)22-15-10-14(23-24-15)12-6-2-4-8-19-12;25-15(9-5-10-16-20-12-6-1-2-8-14(12)26-16)21-18-22-17(23-24-18)13-7-3-4-11-19-13;1-10-11-6-2-3-8-13(11)24-14(10)16(23)20-17-19-15(21-22-17)12-7-4-5-9-18-12/h3-10,13H,11-12H2,1-2H3,(H2,22,23,27);2-9H,10H2,1H3,(H,22,24,25);1-4,6-8,11H,5,9-10H2,(H2,21,22,23,24,25);2-9H,1H3,(H2,19,20,21,22,23).
What are the key properties of 4-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)butanamide;4-methyl-2-pyridin-2-yl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide;3-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide;1-propan-2-yl-3-[3-[2-(5-pyridin-2-yl-4H-pyrazol-3-yl)acetyl]phenyl]urea?
4-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)butanamide;4-methyl-2-pyridin-2-yl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide;3-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide;1-propan-2-yl-3-[3-[2-(5-pyridin-2-yl-4H-pyrazol-3-yl)acetyl]phenyl]urea has a molecular weight of 1409.60 g/mol, XLogP of 12.89, 18 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)butanamide;4-methyl-2-pyridin-2-yl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide;3-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide;1-propan-2-yl-3-[3-[2-(5-pyridin-2-yl-4H-pyrazol-3-yl)acetyl]phenyl]urea is sourced from PubChem (CID 161166726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).