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

C15H15N3O2S — CID 857259

IUPAC2-(cyclopropanecarbonylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)C2CC2)sc1C(=O)Nc1ccccc1
InChIInChI=1S/C15H15N3O2S/c1-9-12(14(20)17-11-5-3-2-4-6-11)21-15(16-9)18-13(19)10-7-8-10/h2-6,10H,7-8H2,1H3,(H,17,20)(H,16,18,19)
InChIKeyCKJSARLXLUFZSU-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.05
Rot. Bonds4

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

2-(cyclopropanecarbonylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 857259) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 2-(cyclopropanecarbonylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(cyclopropanecarbonylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
PubChem CID857259
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name2-(cyclopropanecarbonylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)C2CC2)sc1C(=O)Nc1ccccc1
InChIInChI=1S/C15H15N3O2S/c1-9-12(14(20)17-11-5-3-2-4-6-11)21-15(16-9)18-13(19)10-7-8-10/h2-6,10H,7-8H2,1H3,(H,17,20)(H,16,18,19)
InChIKeyCKJSARLXLUFZSU-UHFFFAOYSA-N
XLogP3.05
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.05
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-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(cyclopropanecarbonylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide (CID 857259) is 2-(cyclopropanecarbonylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(cyclopropanecarbonylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(cyclopropanecarbonylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide is Cc1nc(NC(=O)C2CC2)sc1C(=O)Nc1ccccc1.
What is the InChIKey of 2-(cyclopropanecarbonylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is CKJSARLXLUFZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-9-12(14(20)17-11-5-3-2-4-6-11)21-15(16-9)18-13(19)10-7-8-10/h2-6,10H,7-8H2,1H3,(H,17,20)(H,16,18,19).
What are the key properties of 2-(cyclopropanecarbonylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide?
2-(cyclopropanecarbonylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 301.37 g/mol, XLogP of 3.05, 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-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 857259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).