N-(4-acetamidophenyl)-2-(pyridin-3-ylmethylamino)-1,3-thiazole-5-carboxamide

C18H17N5O2S — CID 117085966

IUPACN-(4-acetamidophenyl)-2-(pyridin-3-ylmethylamino)-1,3-thiazole-5-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cnc(NCc3cccnc3)s2)cc1
InChIInChI=1S/C18H17N5O2S/c1-12(24)22-14-4-6-15(7-5-14)23-17(25)16-11-21-18(26-16)20-10-13-3-2-8-19-9-13/h2-9,11H,10H2,1H3,(H,20,21)(H,22,24)(H,23,25)
InChIKeyORKMWDIPBKQBKY-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.36
Rot. Bonds6

About N-(4-acetamidophenyl)-2-(pyridin-3-ylmethylamino)-1,3-thiazole-5-carboxamide

N-(4-acetamidophenyl)-2-(pyridin-3-ylmethylamino)-1,3-thiazole-5-carboxamide (PubChem CID 117085966) has the molecular formula C18H17N5O2S and a molecular weight of 367.43 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(pyridin-3-ylmethylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(pyridin-3-ylmethylamino)-1,3-thiazole-5-carboxamide
PubChem CID117085966
Molecular FormulaC18H17N5O2S
Molecular Weight367.43 g/mol
Exact Mass367.11
IUPAC NameN-(4-acetamidophenyl)-2-(pyridin-3-ylmethylamino)-1,3-thiazole-5-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cnc(NCc3cccnc3)s2)cc1
InChIInChI=1S/C18H17N5O2S/c1-12(24)22-14-4-6-15(7-5-14)23-17(25)16-11-21-18(26-16)20-10-13-3-2-8-19-9-13/h2-9,11H,10H2,1H3,(H,20,21)(H,22,24)(H,23,25)
InChIKeyORKMWDIPBKQBKY-UHFFFAOYSA-N
XLogP3.36
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-(pyridin-3-ylmethylamino)-1,3-thiazole-5-carboxylate
CID 80572026
N-(4-acetamidophenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109157895
N-[4-[(pyridin-3-ylmethylamino)methyl]phenyl]acetamide
CID 27654042
4-N-(4-acetamidophenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047706
3-[2-(pyridin-3-ylmethylamino)-1,3-thiazole-5-carbonyl]benzoic acid
CID 142615598
N-[4-(pyridin-3-ylmethylcarbamothioylamino)phenyl]acetamide
CID 7678953
5-ethyl-N-(pyridin-3-ylmethyl)-1,3-thiazol-2-amine
CID 104599802
N-(3-acetamidophenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109213194
2-(4-acetamidophenyl)-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]acetamide
CID 91816099
methyl 2-[(4-pyridin-3-ylphenyl)methylamino]-1,3-thiazole-5-carboxylate
CID 86665086
[2-(pyridin-3-ylmethylamino)-1,3-thiazol-5-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 151619613
N-phenyl-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide
CID 109258997

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(pyridin-3-ylmethylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(pyridin-3-ylmethylamino)-1,3-thiazole-5-carboxamide (CID 117085966) is N-(4-acetamidophenyl)-2-(pyridin-3-ylmethylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(pyridin-3-ylmethylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(pyridin-3-ylmethylamino)-1,3-thiazole-5-carboxamide is CC(=O)Nc1ccc(NC(=O)c2cnc(NCc3cccnc3)s2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-(pyridin-3-ylmethylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is ORKMWDIPBKQBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2S/c1-12(24)22-14-4-6-15(7-5-14)23-17(25)16-11-21-18(26-16)20-10-13-3-2-8-19-9-13/h2-9,11H,10H2,1H3,(H,20,21)(H,22,24)(H,23,25).
What are the key properties of N-(4-acetamidophenyl)-2-(pyridin-3-ylmethylamino)-1,3-thiazole-5-carboxamide?
N-(4-acetamidophenyl)-2-(pyridin-3-ylmethylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 367.43 g/mol, XLogP of 3.36, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(pyridin-3-ylmethylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 117085966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).