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

C17H17N5O2S2 — CID 51043963

IUPAC2-[acetyl(benzyl)amino]-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
SMILESCC(=O)N(Cc1ccccc1)c1nc(C)c(C(=O)Nc2nnc(C)s2)s1
InChIInChI=1S/C17H17N5O2S2/c1-10-14(15(24)19-16-21-20-11(2)25-16)26-17(18-10)22(12(3)23)9-13-7-5-4-6-8-13/h4-8H,9H2,1-3H3,(H,19,21,24)
InChIKeyUEGACEPZYXXHTB-UHFFFAOYSA-N
MW387.49 g/mol
LogP3.42
Rot. Bonds5

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

2-[acetyl(benzyl)amino]-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide (PubChem CID 51043963) has the molecular formula C17H17N5O2S2 and a molecular weight of 387.49 g/mol. Its IUPAC name is 2-[acetyl(benzyl)amino]-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[acetyl(benzyl)amino]-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
PubChem CID51043963
Molecular FormulaC17H17N5O2S2
Molecular Weight387.49 g/mol
Exact Mass387.08
IUPAC Name2-[acetyl(benzyl)amino]-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
SMILESCC(=O)N(Cc1ccccc1)c1nc(C)c(C(=O)Nc2nnc(C)s2)s1
InChIInChI=1S/C17H17N5O2S2/c1-10-14(15(24)19-16-21-20-11(2)25-16)26-17(18-10)22(12(3)23)9-13-7-5-4-6-8-13/h4-8H,9H2,1-3H3,(H,19,21,24)
InChIKeyUEGACEPZYXXHTB-UHFFFAOYSA-N
XLogP3.42
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[acetyl(benzyl)amino]-4-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 51044205
2-[acetyl(benzyl)amino]-4-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 51044326
2-[acetyl(benzyl)amino]-N-cyclopropyl-4-methyl-1,3-thiazole-5-carboxamide
CID 51049231
2-[acetyl(benzyl)amino]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 51048692
2-[acetyl(furan-2-ylmethyl)amino]-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 51049352
2-(dimethylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 8893174
2-[acetyl(furan-2-ylmethyl)amino]-N-(1H-benzimidazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 51044648
2-(dimethylamino)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 75437764
ethyl 2-[benzyl-[3-[(2-phenylacetyl)amino]propanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 55493868
4-methyl-2-[(3-methylbenzoyl)amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 3870990
2-[benzyl(ethyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 62764764
2,4-dimethyl-N-[5-(1-phenylcyclopropyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-5-carboxamide
CID 154754382

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(benzyl)amino]-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[acetyl(benzyl)amino]-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide (CID 51043963) is 2-[acetyl(benzyl)amino]-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[acetyl(benzyl)amino]-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[acetyl(benzyl)amino]-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide is CC(=O)N(Cc1ccccc1)c1nc(C)c(C(=O)Nc2nnc(C)s2)s1.
What is the InChIKey of 2-[acetyl(benzyl)amino]-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is UEGACEPZYXXHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2S2/c1-10-14(15(24)19-16-21-20-11(2)25-16)26-17(18-10)22(12(3)23)9-13-7-5-4-6-8-13/h4-8H,9H2,1-3H3,(H,19,21,24).
What are the key properties of 2-[acetyl(benzyl)amino]-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide?
2-[acetyl(benzyl)amino]-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 387.49 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(benzyl)amino]-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 51043963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).