2-(cyclopropanecarbonylamino)-4-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide

C16H17N3O2S — CID 857264

IUPAC2-(cyclopropanecarbonylamino)-4-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide
SMILESCc1ccccc1NC(=O)c1sc(NC(=O)C2CC2)nc1C
InChIInChI=1S/C16H17N3O2S/c1-9-5-3-4-6-12(9)18-15(21)13-10(2)17-16(22-13)19-14(20)11-7-8-11/h3-6,11H,7-8H2,1-2H3,(H,18,21)(H,17,19,20)
InChIKeyVADCVJMOSZEHJD-UHFFFAOYSA-N
MW315.40 g/mol
LogP3.36
Rot. Bonds4

About 2-(cyclopropanecarbonylamino)-4-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide

2-(cyclopropanecarbonylamino)-4-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide (PubChem CID 857264) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is 2-(cyclopropanecarbonylamino)-4-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(cyclopropanecarbonylamino)-4-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide
PubChem CID857264
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC Name2-(cyclopropanecarbonylamino)-4-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide
SMILESCc1ccccc1NC(=O)c1sc(NC(=O)C2CC2)nc1C
InChIInChI=1S/C16H17N3O2S/c1-9-5-3-4-6-12(9)18-15(21)13-10(2)17-16(22-13)19-14(20)11-7-8-11/h3-6,11H,7-8H2,1-2H3,(H,18,21)(H,17,19,20)
InChIKeyVADCVJMOSZEHJD-UHFFFAOYSA-N
XLogP3.36
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropanecarbonylamino)-4-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(cyclopropanecarbonylamino)-4-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide (CID 857264) is 2-(cyclopropanecarbonylamino)-4-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(cyclopropanecarbonylamino)-4-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(cyclopropanecarbonylamino)-4-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide is Cc1ccccc1NC(=O)c1sc(NC(=O)C2CC2)nc1C.
What is the InChIKey of 2-(cyclopropanecarbonylamino)-4-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is VADCVJMOSZEHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-9-5-3-4-6-12(9)18-15(21)13-10(2)17-16(22-13)19-14(20)11-7-8-11/h3-6,11H,7-8H2,1-2H3,(H,18,21)(H,17,19,20).
What are the key properties of 2-(cyclopropanecarbonylamino)-4-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide?
2-(cyclopropanecarbonylamino)-4-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 315.40 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropanecarbonylamino)-4-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 857264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).