N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxamide

C19H18N4O2S2 — CID 18153647

IUPACN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxamide
SMILESCc1ccc(Sc2ncccc2C(=O)Nc2nc(CC(N)=O)cs2)cc1C
InChIInChI=1S/C19H18N4O2S2/c1-11-5-6-14(8-12(11)2)27-18-15(4-3-7-21-18)17(25)23-19-22-13(10-26-19)9-16(20)24/h3-8,10H,9H2,1-2H3,(H2,20,24)(H,22,23,25)
InChIKeyADOZIDDYQPYMNK-UHFFFAOYSA-N
MW398.51 g/mol
LogP3.59
Rot. Bonds6

About N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxamide

N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxamide (PubChem CID 18153647) has the molecular formula C19H18N4O2S2 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxamide
PubChem CID18153647
Molecular FormulaC19H18N4O2S2
Molecular Weight398.51 g/mol
Exact Mass398.09
IUPAC NameN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxamide
SMILESCc1ccc(Sc2ncccc2C(=O)Nc2nc(CC(N)=O)cs2)cc1C
InChIInChI=1S/C19H18N4O2S2/c1-11-5-6-14(8-12(11)2)27-18-15(4-3-7-21-18)17(25)23-19-22-13(10-26-19)9-16(20)24/h3-8,10H,9H2,1-2H3,(H2,20,24)(H,22,23,25)
InChIKeyADOZIDDYQPYMNK-UHFFFAOYSA-N
XLogP3.59
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-cyclopentylsulfanylpyridine-3-carboxamide
CID 75416019
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxamide
CID 55783973
2-(3,4-dimethylphenyl)sulfanyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 55602031
(2-amino-2-oxoethyl) 2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxylate
CID 7790621
N-(1,3-benzodioxol-5-yl)-2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxamide
CID 17391027
2-(3,4-dimethylphenyl)sulfanyl-N-(1-methoxypropan-2-yl)pyridine-3-carboxamide
CID 18161224
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 17449882
ethyl 2-[[2-(4-bromophenyl)sulfanylpyridine-3-carbonyl]amino]-1,3-thiazole-4-carboxylate
CID 55333477
[2-(3,4-dimethylphenyl)sulfanyl-3-pyridinyl]methanamine
CID 43528942
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(2,3-dimethylanilino)benzamide
CID 51258065
2-(3,4-dimethylphenyl)sulfanyl-N-[(2-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 38536076
2-(difluoromethylsulfanyl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 24568681

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxamide?
The IUPAC name of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxamide (CID 18153647) is N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxamide is Cc1ccc(Sc2ncccc2C(=O)Nc2nc(CC(N)=O)cs2)cc1C.
What is the InChIKey of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxamide?
The InChIKey is ADOZIDDYQPYMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S2/c1-11-5-6-14(8-12(11)2)27-18-15(4-3-7-21-18)17(25)23-19-22-13(10-26-19)9-16(20)24/h3-8,10H,9H2,1-2H3,(H2,20,24)(H,22,23,25).
What are the key properties of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxamide?
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxamide is sourced from PubChem (CID 18153647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).