N-(2-ethylphenyl)-3-methyl-5-[(3-methyl-2-pyridinyl)amino]-1,2-thiazole-4-carboxamide

C19H20N4OS — CID 90329749

IUPACN-(2-ethylphenyl)-3-methyl-5-[(3-methyl-2-pyridinyl)amino]-1,2-thiazole-4-carboxamide
SMILESCCc1ccccc1NC(=O)c1c(C)nsc1Nc1ncccc1C
InChIInChI=1S/C19H20N4OS/c1-4-14-9-5-6-10-15(14)21-18(24)16-13(3)23-25-19(16)22-17-12(2)8-7-11-20-17/h5-11H,4H2,1-3H3,(H,20,22)(H,21,24)
InChIKeyACGNMPLTKJISBR-UHFFFAOYSA-N
MW352.46 g/mol
LogP4.71
Rot. Bonds5

About N-(2-ethylphenyl)-3-methyl-5-[(3-methyl-2-pyridinyl)amino]-1,2-thiazole-4-carboxamide

N-(2-ethylphenyl)-3-methyl-5-[(3-methyl-2-pyridinyl)amino]-1,2-thiazole-4-carboxamide (PubChem CID 90329749) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is N-(2-ethylphenyl)-3-methyl-5-[(3-methyl-2-pyridinyl)amino]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-3-methyl-5-[(3-methyl-2-pyridinyl)amino]-1,2-thiazole-4-carboxamide
PubChem CID90329749
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC NameN-(2-ethylphenyl)-3-methyl-5-[(3-methyl-2-pyridinyl)amino]-1,2-thiazole-4-carboxamide
SMILESCCc1ccccc1NC(=O)c1c(C)nsc1Nc1ncccc1C
InChIInChI=1S/C19H20N4OS/c1-4-14-9-5-6-10-15(14)21-18(24)16-13(3)23-25-19(16)22-17-12(2)8-7-11-20-17/h5-11H,4H2,1-3H3,(H,20,22)(H,21,24)
InChIKeyACGNMPLTKJISBR-UHFFFAOYSA-N
XLogP4.71
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethylphenyl)-3-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-1,2-thiazole-4-carboxamide
CID 158527756
5-[(4,6-dimethylpyrimidin-2-yl)methyl]-N-(2-ethylphenyl)-3-methyl-1,2-thiazole-4-carboxamide
CID 161063080
N-(2-ethylphenyl)-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110857760
3-methyl-N-(2-phenoxy-3-pyridinyl)-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide
CID 129048666
N-[2-(ethylaminomethyl)phenyl]-3-methylpyridine-2-carboxamide
CID 62339323
2-hydrazinyl-N-(3-methyl-2-pyridinyl)benzamide
CID 62236931
1-[(2-methylphenyl)methyl]-3-(3-methyl-2-pyridinyl)urea
CID 108897270
N-(2-ethylphenyl)-1,3-thiazole-4-carboxamide
CID 62046507
ethyl 5-[2-(methoxymethyl)anilino]-3-methyl-1,2-thiazole-4-carboxylate
CID 79371639
N-(2-ethylphenyl)-2,3-dimethylbenzamide
CID 7923827
1-[3-methyl-5-[(2-methylphenyl)methylamino]-1,2-thiazol-4-yl]ethanone
CID 79363573
N-(2-chloro-3-pyridinyl)-2-ethylbenzamide
CID 103817631

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-3-methyl-5-[(3-methyl-2-pyridinyl)amino]-1,2-thiazole-4-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-3-methyl-5-[(3-methyl-2-pyridinyl)amino]-1,2-thiazole-4-carboxamide (CID 90329749) is N-(2-ethylphenyl)-3-methyl-5-[(3-methyl-2-pyridinyl)amino]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-3-methyl-5-[(3-methyl-2-pyridinyl)amino]-1,2-thiazole-4-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-3-methyl-5-[(3-methyl-2-pyridinyl)amino]-1,2-thiazole-4-carboxamide is CCc1ccccc1NC(=O)c1c(C)nsc1Nc1ncccc1C.
What is the InChIKey of N-(2-ethylphenyl)-3-methyl-5-[(3-methyl-2-pyridinyl)amino]-1,2-thiazole-4-carboxamide?
The InChIKey is ACGNMPLTKJISBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS/c1-4-14-9-5-6-10-15(14)21-18(24)16-13(3)23-25-19(16)22-17-12(2)8-7-11-20-17/h5-11H,4H2,1-3H3,(H,20,22)(H,21,24).
What are the key properties of N-(2-ethylphenyl)-3-methyl-5-[(3-methyl-2-pyridinyl)amino]-1,2-thiazole-4-carboxamide?
N-(2-ethylphenyl)-3-methyl-5-[(3-methyl-2-pyridinyl)amino]-1,2-thiazole-4-carboxamide has a molecular weight of 352.46 g/mol, XLogP of 4.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-3-methyl-5-[(3-methyl-2-pyridinyl)amino]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 90329749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).