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

C20H19N3O3S2 — CID 143575811

IUPACN-benzyl-4-methyl-2-[(2-methylsulfinylbenzoyl)amino]-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)c2ccccc2S(C)=O)sc1C(=O)NCc1ccccc1
InChIInChI=1S/C20H19N3O3S2/c1-13-17(19(25)21-12-14-8-4-3-5-9-14)27-20(22-13)23-18(24)15-10-6-7-11-16(15)28(2)26/h3-11H,12H2,1-2H3,(H,21,25)(H,22,23,24)
InChIKeyPPLQNYYCZSSAAU-UHFFFAOYSA-N
MW413.52 g/mol
LogP3.37
Rot. Bonds6

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

N-benzyl-4-methyl-2-[(2-methylsulfinylbenzoyl)amino]-1,3-thiazole-5-carboxamide (PubChem CID 143575811) has the molecular formula C20H19N3O3S2 and a molecular weight of 413.52 g/mol. Its IUPAC name is N-benzyl-4-methyl-2-[(2-methylsulfinylbenzoyl)amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-methyl-2-[(2-methylsulfinylbenzoyl)amino]-1,3-thiazole-5-carboxamide
PubChem CID143575811
Molecular FormulaC20H19N3O3S2
Molecular Weight413.52 g/mol
Exact Mass413.09
IUPAC NameN-benzyl-4-methyl-2-[(2-methylsulfinylbenzoyl)amino]-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)c2ccccc2S(C)=O)sc1C(=O)NCc1ccccc1
InChIInChI=1S/C20H19N3O3S2/c1-13-17(19(25)21-12-14-8-4-3-5-9-14)27-20(22-13)23-18(24)15-10-6-7-11-16(15)28(2)26/h3-11H,12H2,1-2H3,(H,21,25)(H,22,23,24)
InChIKeyPPLQNYYCZSSAAU-UHFFFAOYSA-N
XLogP3.37
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-4-methyl-2-[(4-methylbenzoyl)amino]-1,3-thiazole-5-carboxamide
CID 1468263
N-benzyl-2-[(4-chlorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxamide
CID 59369678
N-benzyl-4-methyl-2-[(2-phenoxyacetyl)amino]-1,3-thiazole-5-carboxamide
CID 1468268
N-[(4-chlorophenyl)methyl]-4-methyl-2-(phenylcarbamoylamino)-1,3-thiazole-5-carboxamide
CID 16897032
1-N,2-N-bis[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]benzene-1,2-dicarboxamide
CID 4065247
4-methyl-N-[(3-methylphenyl)methyl]-2-(2-phenylethylamino)-1,3-thiazole-5-carboxamide
CID 53365432
methyl 2-[[2-[(5-methoxycarbonyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 3601092
2-(2-ethylanilino)-4-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 53365440
4-methyl-2-(methylamino)-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110386337
2-[(2-chlorobenzoyl)amino]-N-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxamide;hydroiodide
CID 171668009
N-benzyl-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 9138512
N-[(4-bromophenyl)methyl]-2-(2-ethylanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 53365458

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methyl-2-[(2-methylsulfinylbenzoyl)amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-benzyl-4-methyl-2-[(2-methylsulfinylbenzoyl)amino]-1,3-thiazole-5-carboxamide (CID 143575811) is N-benzyl-4-methyl-2-[(2-methylsulfinylbenzoyl)amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-benzyl-4-methyl-2-[(2-methylsulfinylbenzoyl)amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-benzyl-4-methyl-2-[(2-methylsulfinylbenzoyl)amino]-1,3-thiazole-5-carboxamide is Cc1nc(NC(=O)c2ccccc2S(C)=O)sc1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-4-methyl-2-[(2-methylsulfinylbenzoyl)amino]-1,3-thiazole-5-carboxamide?
The InChIKey is PPLQNYYCZSSAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S2/c1-13-17(19(25)21-12-14-8-4-3-5-9-14)27-20(22-13)23-18(24)15-10-6-7-11-16(15)28(2)26/h3-11H,12H2,1-2H3,(H,21,25)(H,22,23,24).
What are the key properties of N-benzyl-4-methyl-2-[(2-methylsulfinylbenzoyl)amino]-1,3-thiazole-5-carboxamide?
N-benzyl-4-methyl-2-[(2-methylsulfinylbenzoyl)amino]-1,3-thiazole-5-carboxamide has a molecular weight of 413.52 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methyl-2-[(2-methylsulfinylbenzoyl)amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 143575811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).