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

C15H14ClN3O2S — CID 857262

IUPACN-(2-chlorophenyl)-2-(cyclopropanecarbonylamino)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)C2CC2)sc1C(=O)Nc1ccccc1Cl
InChIInChI=1S/C15H14ClN3O2S/c1-8-12(14(21)18-11-5-3-2-4-10(11)16)22-15(17-8)19-13(20)9-6-7-9/h2-5,9H,6-7H2,1H3,(H,18,21)(H,17,19,20)
InChIKeyDDUKEPBTDBKOOD-UHFFFAOYSA-N
MW335.82 g/mol
LogP3.71
Rot. Bonds4

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

N-(2-chlorophenyl)-2-(cyclopropanecarbonylamino)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 857262) has the molecular formula C15H14ClN3O2S and a molecular weight of 335.82 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(cyclopropanecarbonylamino)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(cyclopropanecarbonylamino)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID857262
Molecular FormulaC15H14ClN3O2S
Molecular Weight335.82 g/mol
Exact Mass335.05
IUPAC NameN-(2-chlorophenyl)-2-(cyclopropanecarbonylamino)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)C2CC2)sc1C(=O)Nc1ccccc1Cl
InChIInChI=1S/C15H14ClN3O2S/c1-8-12(14(21)18-11-5-3-2-4-10(11)16)22-15(17-8)19-13(20)9-6-7-9/h2-5,9H,6-7H2,1H3,(H,18,21)(H,17,19,20)
InChIKeyDDUKEPBTDBKOOD-UHFFFAOYSA-N
XLogP3.71
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.82
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(cyclopropanecarbonylamino)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-2-(cyclopropanecarbonylamino)-4-methyl-1,3-thiazole-5-carboxamide (CID 857262) is N-(2-chlorophenyl)-2-(cyclopropanecarbonylamino)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(cyclopropanecarbonylamino)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(cyclopropanecarbonylamino)-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(NC(=O)C2CC2)sc1C(=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-(cyclopropanecarbonylamino)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is DDUKEPBTDBKOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2S/c1-8-12(14(21)18-11-5-3-2-4-10(11)16)22-15(17-8)19-13(20)9-6-7-9/h2-5,9H,6-7H2,1H3,(H,18,21)(H,17,19,20).
What are the key properties of N-(2-chlorophenyl)-2-(cyclopropanecarbonylamino)-4-methyl-1,3-thiazole-5-carboxamide?
N-(2-chlorophenyl)-2-(cyclopropanecarbonylamino)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 335.82 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(cyclopropanecarbonylamino)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 857262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).