N-methyl-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide

C12H15N3OS2 — CID 53257647

IUPACN-methyl-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESCNC(=O)c1nc(-c2nccs2)sc1CC(C)C
InChIInChI=1S/C12H15N3OS2/c1-7(2)6-8-9(10(16)13-3)15-12(18-8)11-14-4-5-17-11/h4-5,7H,6H2,1-3H3,(H,13,16)
InChIKeyGAEKZCSGBFDQMR-UHFFFAOYSA-N
MW281.41 g/mol
LogP2.82
Rot. Bonds4

About N-methyl-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide

N-methyl-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 53257647) has the molecular formula C12H15N3OS2 and a molecular weight of 281.41 g/mol. Its IUPAC name is N-methyl-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID53257647
Molecular FormulaC12H15N3OS2
Molecular Weight281.41 g/mol
Exact Mass281.07
IUPAC NameN-methyl-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESCNC(=O)c1nc(-c2nccs2)sc1CC(C)C
InChIInChI=1S/C12H15N3OS2/c1-7(2)6-8-9(10(16)13-3)15-12(18-8)11-14-4-5-17-11/h4-5,7H,6H2,1-3H3,(H,13,16)
InChIKeyGAEKZCSGBFDQMR-UHFFFAOYSA-N
XLogP2.82
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.41
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-methyl-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide (CID 53257647) is N-methyl-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-methyl-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-methyl-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide is CNC(=O)c1nc(-c2nccs2)sc1CC(C)C.
What is the InChIKey of N-methyl-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is GAEKZCSGBFDQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS2/c1-7(2)6-8-9(10(16)13-3)15-12(18-8)11-14-4-5-17-11/h4-5,7H,6H2,1-3H3,(H,13,16).
What are the key properties of N-methyl-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
N-methyl-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 281.41 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 53257647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).