4-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)butanamide;3-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide

C35H29N11O3S — CID 145342100

IUPAC4-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)butanamide;3-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2n[nH]c(-c3ccccn3)n2)oc2ccccc12.O=C(CCCc1nc2ccccc2s1)Nc1n[nH]c(-c2ccccn2)n1
InChIInChI=1S/C18H16N6OS.C17H13N5O2/c25-15(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/h1-4,6-8,11H,5,9-10H2,(H2,21,22,23,24,25);2-9H,1H3,(H2,19,20,21,22,23)
InChIKeyNIIORFOOAQQJEV-UHFFFAOYSA-N
MW683.76 g/mol
LogP6.61
Rot. Bonds9

About 4-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)butanamide;3-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide

4-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)butanamide;3-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide (PubChem CID 145342100) has the molecular formula C35H29N11O3S and a molecular weight of 683.76 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;3-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name4-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)butanamide;3-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide
PubChem CID145342100
Molecular FormulaC35H29N11O3S
Molecular Weight683.76 g/mol
Exact Mass683.22
IUPAC Name4-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)butanamide;3-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2n[nH]c(-c3ccccn3)n2)oc2ccccc12.O=C(CCCc1nc2ccccc2s1)Nc1n[nH]c(-c2ccccn2)n1
InChIInChI=1S/C18H16N6OS.C17H13N5O2/c25-15(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/h1-4,6-8,11H,5,9-10H2,(H2,21,22,23,24,25);2-9H,1H3,(H2,19,20,21,22,23)
InChIKeyNIIORFOOAQQJEV-UHFFFAOYSA-N
XLogP6.61
TPSA193.15 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms50
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500683.76
LogP ≤ 56.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze 4-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)butanamide;3-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-[6-[5-[3-(1,3-benzothiazol-2-yl)propanoylamino]-4H-1,2,4-triazol-3-yl]-2-pyridinyl]phenoxy]-N-(5-pyridin-2-yl-4H-1,2,4-triazol-3-yl)benzamide
CID 137213596
5-[6-[5-[4-(1,3-benzothiazol-2-yl)butanoylamino]-4H-1,2,4-triazol-3-yl]-3-pyridinyl]-3-methyl-N-(5-pyridin-2-yl-4H-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide
CID 137213612
3-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;4-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide
CID 145342255
4-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)butanamide;2-(2-ethylphenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-methyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1-benzofuran-2-carboxamide;5-methyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;4-methyl-2-pyridin-2-yl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide;methyl 5-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)carbamoyl]pyridine-3-carboxylate;1-propan-2-yl-3-[3-[2-(5-pyridin-2-yl-4H-pyrazol-3-yl)acetyl]phenyl]urea;N-[4-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)carbamoyl]phenyl]pyridine-2-carboxamide
CID 157882061
4-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)butanamide;2-(2-ethylphenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-methyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1-benzofuran-2-carboxamide;5-methyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;4-methyl-2-pyridin-2-yl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide;methyl 5-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)carbamoyl]pyridine-3-carboxylate;1-propan-2-yl-3-[3-[2-(5-pyridin-2-yl-4H-pyrazol-3-yl)acetyl]phenyl]urea
CID 159454996
4-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)butanamide;3-methyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1-benzofuran-2-carboxamide;4-methyl-2-pyridin-2-yl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide;1-propan-2-yl-3-[3-[2-(5-pyridin-2-yl-4H-pyrazol-3-yl)acetyl]phenyl]urea
CID 159980317
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
5-[1-[3-[4-[2-[2-[5-[2-(dimethylcarbamoyl)-1-benzofuran-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3H-benzimidazol-5-yl]triazol-1-yl]propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 177170574
N-[(E)-[2-(1,3-benzothiazol-2-ylcarbamoyl)-3-methyl-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]pyridine-4-carboxamide
CID 19158318
N-[(E)-[2-(1,3-benzothiazol-2-ylcarbamoyl)-3-methyl-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]pyridine-3-carboxamide
CID 19158486
N-[(E)-[2-(1,3-benzothiazol-2-ylcarbamoyl)-3-methyl-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]pyridine-2-carboxamide
CID 19158654
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-carboxamide
CID 31520428

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;3-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of 4-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)butanamide;3-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide (CID 145342100) is 4-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)butanamide;3-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide.
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;3-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 4-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)butanamide;3-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2n[nH]c(-c3ccccn3)n2)oc2ccccc12.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;3-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide?
The InChIKey is NIIORFOOAQQJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6OS.C17H13N5O2/c25-15(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/h1-4,6-8,11H,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;3-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide?
4-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)butanamide;3-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide has a molecular weight of 683.76 g/mol, XLogP of 6.61, 9 rotatable bonds, 4 hydrogen bond donors, and 11 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;3-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 145342100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).