N-[4-(4-cyclopentyloxy-2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide

C22H23N3O2S — CID 58442383

IUPACN-[4-(4-cyclopentyloxy-2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESCc1cc(OC2CCCC2)cc(C)c1-c1csc(NC(=O)c2ccncc2)n1
InChIInChI=1S/C22H23N3O2S/c1-14-11-18(27-17-5-3-4-6-17)12-15(2)20(14)19-13-28-22(24-19)25-21(26)16-7-9-23-10-8-16/h7-13,17H,3-6H2,1-2H3,(H,24,25,26)
InChIKeyURGMRSZTZCFZAN-UHFFFAOYSA-N
MW393.51 g/mol
LogP5.40
Rot. Bonds5

About N-[4-(4-cyclopentyloxy-2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide

N-[4-(4-cyclopentyloxy-2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide (PubChem CID 58442383) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-[4-(4-cyclopentyloxy-2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(4-cyclopentyloxy-2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
PubChem CID58442383
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC NameN-[4-(4-cyclopentyloxy-2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESCc1cc(OC2CCCC2)cc(C)c1-c1csc(NC(=O)c2ccncc2)n1
InChIInChI=1S/C22H23N3O2S/c1-14-11-18(27-17-5-3-4-6-17)12-15(2)20(14)19-13-28-22(24-19)25-21(26)16-7-9-23-10-8-16/h7-13,17H,3-6H2,1-2H3,(H,24,25,26)
InChIKeyURGMRSZTZCFZAN-UHFFFAOYSA-N
XLogP5.40
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.51
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-Methoxyphenyl)-N-[4-(Pyridin-4-Yl)-1,3-Thiazol-2-Yl]acetamide
CID 4803142
N-[4-(2-aminopyridin-4-yl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 24832012
2-{3-[3-(Piperidin-4-Yl)propoxy]phenyl}-N-[4-(Pyridin-4-Yl)-1,3-Thiazol-2-Yl]acetamide
CID 60097413
2-(3-methylphenoxy)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 16305869
2-(4-methoxyphenyl)-N-(4-(pyridin-4-yl)thiazol-2-yl)acetamide
CID 2123970
4-methoxy-N-[4-(2-pyridyl)thiazol-2-yl]benzamide
CID 2660435
3-methoxy-N-[4-(2-pyridyl)thiazol-2-yl]benzamide
CID 5121654
N-(4-(pyridin-2-yl)thiazol-2-yl)-2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamide
CID 5199136
2-(3-methoxyphenyl)-N-[4-[2-(methylamino)-4-pyridinyl]-1,3-thiazol-2-yl]acetamide
CID 24829572
2-(3-methoxyphenyl)-N-[4-(2-methyl-4-pyridinyl)-1,3-thiazol-2-yl]acetamide
CID 24829746
N-[4-(2-fluoro-4-pyridinyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 24832008
N-(4-methylthiazol-2-yl)-3-(pyridin-3-yloxy)benzamide
CID 51033561

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyclopentyloxy-2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The IUPAC name of N-[4-(4-cyclopentyloxy-2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide (CID 58442383) is N-[4-(4-cyclopentyloxy-2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-(4-cyclopentyloxy-2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-(4-cyclopentyloxy-2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide is Cc1cc(OC2CCCC2)cc(C)c1-c1csc(NC(=O)c2ccncc2)n1.
What is the InChIKey of N-[4-(4-cyclopentyloxy-2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The InChIKey is URGMRSZTZCFZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2S/c1-14-11-18(27-17-5-3-4-6-17)12-15(2)20(14)19-13-28-22(24-19)25-21(26)16-7-9-23-10-8-16/h7-13,17H,3-6H2,1-2H3,(H,24,25,26).
What are the key properties of N-[4-(4-cyclopentyloxy-2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
N-[4-(4-cyclopentyloxy-2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide has a molecular weight of 393.51 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-cyclopentyloxy-2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 58442383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).