4-methyl-2-[(3-methylbenzoyl)amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide

C16H15N5O2S2 — CID 3870990

IUPAC4-methyl-2-[(3-methylbenzoyl)amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
SMILESCc1cccc(C(=O)Nc2nc(C)c(C(=O)Nc3nnc(C)s3)s2)c1
InChIInChI=1S/C16H15N5O2S2/c1-8-5-4-6-11(7-8)13(22)18-15-17-9(2)12(25-15)14(23)19-16-21-20-10(3)24-16/h4-7H,1-3H3,(H,17,18,22)(H,19,21,23)
InChIKeyUFWFLBZLYFVZPM-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.42
Rot. Bonds4

About 4-methyl-2-[(3-methylbenzoyl)amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide

4-methyl-2-[(3-methylbenzoyl)amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide (PubChem CID 3870990) has the molecular formula C16H15N5O2S2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 4-methyl-2-[(3-methylbenzoyl)amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-[(3-methylbenzoyl)amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
PubChem CID3870990
Molecular FormulaC16H15N5O2S2
Molecular Weight373.46 g/mol
Exact Mass373.07
IUPAC Name4-methyl-2-[(3-methylbenzoyl)amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
SMILESCc1cccc(C(=O)Nc2nc(C)c(C(=O)Nc3nnc(C)s3)s2)c1
InChIInChI=1S/C16H15N5O2S2/c1-8-5-4-6-11(7-8)13(22)18-15-17-9(2)12(25-15)14(23)19-16-21-20-10(3)24-16/h4-7H,1-3H3,(H,17,18,22)(H,19,21,23)
InChIKeyUFWFLBZLYFVZPM-UHFFFAOYSA-N
XLogP3.42
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

propan-2-yl 4-methyl-2-[(3-methylbenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 110441431
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-[(3-methylbenzoyl)amino]-1,3-thiazole-5-carboxamide
CID 1468257
3-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 4191834
4-methyl-2-(3-methylanilino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 53152765
3-methyl-N-[5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
CID 3290505
2-[4-methyl-2-[(3-methylbenzoyl)amino]-1,3-thiazol-5-yl]acetic acid
CID 82058766
methyl 3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoate
CID 46493816
2,3-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide
CID 16644458
(1-carbamoylcyclohexyl) 4-methyl-2-[(3-methylbenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 91170144
N-(5-benzoyl-4-methyl-1,3-thiazol-2-yl)benzamide
CID 7315330
4-methyl-2-(methylamino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 110386385
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-methylbenzamide
CID 16813777

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(3-methylbenzoyl)amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-2-[(3-methylbenzoyl)amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide (CID 3870990) is 4-methyl-2-[(3-methylbenzoyl)amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-[(3-methylbenzoyl)amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-[(3-methylbenzoyl)amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide is Cc1cccc(C(=O)Nc2nc(C)c(C(=O)Nc3nnc(C)s3)s2)c1.
What is the InChIKey of 4-methyl-2-[(3-methylbenzoyl)amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is UFWFLBZLYFVZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2S2/c1-8-5-4-6-11(7-8)13(22)18-15-17-9(2)12(25-15)14(23)19-16-21-20-10(3)24-16/h4-7H,1-3H3,(H,17,18,22)(H,19,21,23).
What are the key properties of 4-methyl-2-[(3-methylbenzoyl)amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide?
4-methyl-2-[(3-methylbenzoyl)amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(3-methylbenzoyl)amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 3870990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).