2-(cyclopropanecarbonylamino)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide

C12H12N4O3S — CID 71788416

IUPAC2-(cyclopropanecarbonylamino)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide
SMILESCc1csc(NC(=O)c2coc(NC(=O)C3CC3)n2)n1
InChIInChI=1S/C12H12N4O3S/c1-6-5-20-12(13-6)16-10(18)8-4-19-11(14-8)15-9(17)7-2-3-7/h4-5,7H,2-3H2,1H3,(H,13,16,18)(H,14,15,17)
InChIKeyNWPWLMBERISYSF-UHFFFAOYSA-N
MW292.32 g/mol
LogP2.04
Rot. Bonds4

About 2-(cyclopropanecarbonylamino)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide

2-(cyclopropanecarbonylamino)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide (PubChem CID 71788416) has the molecular formula C12H12N4O3S and a molecular weight of 292.32 g/mol. Its IUPAC name is 2-(cyclopropanecarbonylamino)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(cyclopropanecarbonylamino)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide
PubChem CID71788416
Molecular FormulaC12H12N4O3S
Molecular Weight292.32 g/mol
Exact Mass292.06
IUPAC Name2-(cyclopropanecarbonylamino)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide
SMILESCc1csc(NC(=O)c2coc(NC(=O)C3CC3)n2)n1
InChIInChI=1S/C12H12N4O3S/c1-6-5-20-12(13-6)16-10(18)8-4-19-11(14-8)15-9(17)7-2-3-7/h4-5,7H,2-3H2,1H3,(H,13,16,18)(H,14,15,17)
InChIKeyNWPWLMBERISYSF-UHFFFAOYSA-N
XLogP2.04
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(cyclopropanecarbonylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-oxazole-4-carboxamide
CID 121110592
4-(cyclopropanecarbonylamino)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 17361667
ethane;N-(4-methyl-1,3-thiazol-2-yl)cyclohexanecarboxamide
CID 143608697
2-(cyclopropanecarbonylamino)-N-methoxy-1,3-oxazole-4-carboxamide
CID 56765163
N-(4-acetylphenyl)-2-(cyclopropanecarbonylamino)-1,3-oxazole-4-carboxamide
CID 121110555
trans-(1S,3S)-1-N,3-N-bis(4-methyl-1,3-thiazol-2-yl)cyclohexane-1,3-dicarboxamide
CID 52526965
N-(2-carbamoylphenyl)-2-(cyclopropanecarbonylamino)-1,3-oxazole-4-carboxamide
CID 121110560
N-(4-methyl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide
CID 110689621
2-N,6-N-bis(4-methyl-1,3-thiazol-2-yl)pyridine-2,6-dicarboxamide
CID 19684989
4-(tert-butylsulfonylamino)-N-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide
CID 20630708
4-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-2-carboxamide
CID 110696245
(2S)-N-(4-methyl-1,3-thiazol-2-yl)oxolane-2-carboxamide
CID 1086809

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropanecarbonylamino)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(cyclopropanecarbonylamino)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide (CID 71788416) is 2-(cyclopropanecarbonylamino)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(cyclopropanecarbonylamino)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(cyclopropanecarbonylamino)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide is Cc1csc(NC(=O)c2coc(NC(=O)C3CC3)n2)n1.
What is the InChIKey of 2-(cyclopropanecarbonylamino)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is NWPWLMBERISYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3S/c1-6-5-20-12(13-6)16-10(18)8-4-19-11(14-8)15-9(17)7-2-3-7/h4-5,7H,2-3H2,1H3,(H,13,16,18)(H,14,15,17).
What are the key properties of 2-(cyclopropanecarbonylamino)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide?
2-(cyclopropanecarbonylamino)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 292.32 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropanecarbonylamino)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 71788416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).