N,N,4-trimethyl-2-[(1-methyl-2-oxoquinoline-3-carbonyl)amino]-1,3-thiazole-5-carboxamide

C18H18N4O3S — CID 156585779

IUPACN,N,4-trimethyl-2-[(1-methyl-2-oxoquinoline-3-carbonyl)amino]-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)c2cc3ccccc3n(C)c2=O)sc1C(=O)N(C)C
InChIInChI=1S/C18H18N4O3S/c1-10-14(17(25)21(2)3)26-18(19-10)20-15(23)12-9-11-7-5-6-8-13(11)22(4)16(12)24/h5-9H,1-4H3,(H,19,20,23)
InChIKeyYJWPXWKVGBATQW-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.26
Rot. Bonds3

About N,N,4-trimethyl-2-[(1-methyl-2-oxoquinoline-3-carbonyl)amino]-1,3-thiazole-5-carboxamide

N,N,4-trimethyl-2-[(1-methyl-2-oxoquinoline-3-carbonyl)amino]-1,3-thiazole-5-carboxamide (PubChem CID 156585779) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is N,N,4-trimethyl-2-[(1-methyl-2-oxoquinoline-3-carbonyl)amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN,N,4-trimethyl-2-[(1-methyl-2-oxoquinoline-3-carbonyl)amino]-1,3-thiazole-5-carboxamide
PubChem CID156585779
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC NameN,N,4-trimethyl-2-[(1-methyl-2-oxoquinoline-3-carbonyl)amino]-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)c2cc3ccccc3n(C)c2=O)sc1C(=O)N(C)C
InChIInChI=1S/C18H18N4O3S/c1-10-14(17(25)21(2)3)26-18(19-10)20-15(23)12-9-11-7-5-6-8-13(11)22(4)16(12)24/h5-9H,1-4H3,(H,19,20,23)
InChIKeyYJWPXWKVGBATQW-UHFFFAOYSA-N
XLogP2.26
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-N,2-N-bis[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]benzene-1,2-dicarboxamide
CID 4065247
2-[(2-fluorobenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 3285189
2-[(2,4-difluorobenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 39735335
N,N,4-trimethyl-2-[(1-methyltriazole-4-carbonyl)amino]-1,3-thiazole-5-carboxamide
CID 110439852
N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-1-methyl-2-oxoquinoline-3-carboxamide
CID 134713157
2-[(2,6-dichloropyridine-4-carbonyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 142147683
2-(benzoylcarbamothioylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 843956
2-[(5-chloro-2-nitrobenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 3257929
2-[(5-ethylthiophene-3-carbonyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 17250011
N,N,4-trimethyl-2-[[4-[(2-methylanilino)methyl]benzoyl]amino]-1,3-thiazole-5-carboxamide
CID 145489196
methyl 2-[[2-[(5-methoxycarbonyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 3601092
N,N,4-trimethyl-2-(pyrazine-2-carbonylamino)-1,3-thiazole-5-carboxamide
CID 4088894

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-2-[(1-methyl-2-oxoquinoline-3-carbonyl)amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of N,N,4-trimethyl-2-[(1-methyl-2-oxoquinoline-3-carbonyl)amino]-1,3-thiazole-5-carboxamide (CID 156585779) is N,N,4-trimethyl-2-[(1-methyl-2-oxoquinoline-3-carbonyl)amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N,N,4-trimethyl-2-[(1-methyl-2-oxoquinoline-3-carbonyl)amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N,N,4-trimethyl-2-[(1-methyl-2-oxoquinoline-3-carbonyl)amino]-1,3-thiazole-5-carboxamide is Cc1nc(NC(=O)c2cc3ccccc3n(C)c2=O)sc1C(=O)N(C)C.
What is the InChIKey of N,N,4-trimethyl-2-[(1-methyl-2-oxoquinoline-3-carbonyl)amino]-1,3-thiazole-5-carboxamide?
The InChIKey is YJWPXWKVGBATQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-10-14(17(25)21(2)3)26-18(19-10)20-15(23)12-9-11-7-5-6-8-13(11)22(4)16(12)24/h5-9H,1-4H3,(H,19,20,23).
What are the key properties of N,N,4-trimethyl-2-[(1-methyl-2-oxoquinoline-3-carbonyl)amino]-1,3-thiazole-5-carboxamide?
N,N,4-trimethyl-2-[(1-methyl-2-oxoquinoline-3-carbonyl)amino]-1,3-thiazole-5-carboxamide has a molecular weight of 370.43 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-2-[(1-methyl-2-oxoquinoline-3-carbonyl)amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 156585779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).