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

C12H15N3OS2 — CID 75489540

IUPAC2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1csc(NC(=O)c2sc(C)nc2C(C)C)n1
InChIInChI=1S/C12H15N3OS2/c1-6(2)9-10(18-8(4)14-9)11(16)15-12-13-7(3)5-17-12/h5-6H,1-4H3,(H,13,15,16)
InChIKeyRFLPKHAYDMOIPR-UHFFFAOYSA-N
MW281.41 g/mol
LogP3.59
Rot. Bonds3

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

2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-propan-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 75489540) has the molecular formula C12H15N3OS2 and a molecular weight of 281.41 g/mol. Its IUPAC name is 2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-propan-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-propan-2-yl-1,3-thiazole-5-carboxamide
PubChem CID75489540
Molecular FormulaC12H15N3OS2
Molecular Weight281.41 g/mol
Exact Mass281.07
IUPAC Name2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1csc(NC(=O)c2sc(C)nc2C(C)C)n1
InChIInChI=1S/C12H15N3OS2/c1-6(2)9-10(18-8(4)14-9)11(16)15-12-13-7(3)5-17-12/h5-6H,1-4H3,(H,13,15,16)
InChIKeyRFLPKHAYDMOIPR-UHFFFAOYSA-N
XLogP3.59
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.41
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4-propan-2-yl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 75489730
ethyl 2-[(2-methyl-4-propan-2-yl-1,3-thiazole-5-carbonyl)amino]-1,3-thiazole-4-carboxylate
CID 75357207
4-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-2-carboxamide
CID 110696245
4-methyl-N-(4-methyl-1,3-thiazol-2-yl)thiadiazole-5-carboxamide
CID 20719818
N'-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-methyl-N-(4-methyl-1,3-thiazol-2-yl)oxamide
CID 95209343
4-chloro-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 47255361
2-methyl-4-propan-2-yl-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide
CID 110676464
3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 1246749
2-N,6-N-bis(4-methyl-1,3-thiazol-2-yl)pyridine-2,6-dicarboxamide
CID 19684989
2-methyl-4-propan-2-yl-1,3-thiazole-5-carbonyl chloride
CID 139754280
4-N-(4-methyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 47106736
4-bromo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 683754

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-propan-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-propan-2-yl-1,3-thiazole-5-carboxamide (CID 75489540) is 2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-propan-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-propan-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-propan-2-yl-1,3-thiazole-5-carboxamide is Cc1csc(NC(=O)c2sc(C)nc2C(C)C)n1.
What is the InChIKey of 2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-propan-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is RFLPKHAYDMOIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS2/c1-6(2)9-10(18-8(4)14-9)11(16)15-12-13-7(3)5-17-12/h5-6H,1-4H3,(H,13,15,16).
What are the key properties of 2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-propan-2-yl-1,3-thiazole-5-carboxamide?
2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-propan-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 281.41 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-propan-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 75489540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).