4-(4-methoxyphenyl)-N-methyl-N-[1-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)piperidin-4-yl]imidazole-1-carboxamide

C26H26N6O3S — CID 66682493

IUPAC4-(4-methoxyphenyl)-N-methyl-N-[1-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)piperidin-4-yl]imidazole-1-carboxamide
SMILESCOc1ccc(-c2cn(C(=O)N(C)C3CCN(C(=O)c4csc(-c5cccnc5)n4)CC3)cn2)cc1
InChIInChI=1S/C26H26N6O3S/c1-30(26(34)32-15-22(28-17-32)18-5-7-21(35-2)8-6-18)20-9-12-31(13-10-20)25(33)23-16-36-24(29-23)19-4-3-11-27-14-19/h3-8,11,14-17,20H,9-10,12-13H2,1-2H3
InChIKeyQOIUPWOUFJSNPE-UHFFFAOYSA-N
MW502.60 g/mol
LogP4.28
Rot. Bonds5

About 4-(4-methoxyphenyl)-N-methyl-N-[1-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)piperidin-4-yl]imidazole-1-carboxamide

4-(4-methoxyphenyl)-N-methyl-N-[1-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)piperidin-4-yl]imidazole-1-carboxamide (PubChem CID 66682493) has the molecular formula C26H26N6O3S and a molecular weight of 502.60 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-methyl-N-[1-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)piperidin-4-yl]imidazole-1-carboxamide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-methyl-N-[1-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)piperidin-4-yl]imidazole-1-carboxamide
PubChem CID66682493
Molecular FormulaC26H26N6O3S
Molecular Weight502.60 g/mol
Exact Mass502.18
IUPAC Name4-(4-methoxyphenyl)-N-methyl-N-[1-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)piperidin-4-yl]imidazole-1-carboxamide
SMILESCOc1ccc(-c2cn(C(=O)N(C)C3CCN(C(=O)c4csc(-c5cccnc5)n4)CC3)cn2)cc1
InChIInChI=1S/C26H26N6O3S/c1-30(26(34)32-15-22(28-17-32)18-5-7-21(35-2)8-6-18)20-9-12-31(13-10-20)25(33)23-16-36-24(29-23)19-4-3-11-27-14-19/h3-8,11,14-17,20H,9-10,12-13H2,1-2H3
InChIKeyQOIUPWOUFJSNPE-UHFFFAOYSA-N
XLogP4.28
TPSA93.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.60
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-methyl-N-[1-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)piperidin-4-yl]imidazole-1-carboxamide?
The IUPAC name of 4-(4-methoxyphenyl)-N-methyl-N-[1-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)piperidin-4-yl]imidazole-1-carboxamide (CID 66682493) is 4-(4-methoxyphenyl)-N-methyl-N-[1-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)piperidin-4-yl]imidazole-1-carboxamide.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-methyl-N-[1-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)piperidin-4-yl]imidazole-1-carboxamide?
The canonical SMILES for 4-(4-methoxyphenyl)-N-methyl-N-[1-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)piperidin-4-yl]imidazole-1-carboxamide is COc1ccc(-c2cn(C(=O)N(C)C3CCN(C(=O)c4csc(-c5cccnc5)n4)CC3)cn2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-methyl-N-[1-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)piperidin-4-yl]imidazole-1-carboxamide?
The InChIKey is QOIUPWOUFJSNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O3S/c1-30(26(34)32-15-22(28-17-32)18-5-7-21(35-2)8-6-18)20-9-12-31(13-10-20)25(33)23-16-36-24(29-23)19-4-3-11-27-14-19/h3-8,11,14-17,20H,9-10,12-13H2,1-2H3.
What are the key properties of 4-(4-methoxyphenyl)-N-methyl-N-[1-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)piperidin-4-yl]imidazole-1-carboxamide?
4-(4-methoxyphenyl)-N-methyl-N-[1-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)piperidin-4-yl]imidazole-1-carboxamide has a molecular weight of 502.60 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-methyl-N-[1-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)piperidin-4-yl]imidazole-1-carboxamide is sourced from PubChem (CID 66682493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).