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

C11H11ClN2OS — CID 19991364

IUPACN-(3-chlorophenyl)-5-methyl-5H-1,2-thiazole-2-carboxamide
SMILESCC1C=CN(C(=O)Nc2cccc(Cl)c2)S1
InChIInChI=1S/C11H11ClN2OS/c1-8-5-6-14(16-8)11(15)13-10-4-2-3-9(12)7-10/h2-8H,1H3,(H,13,15)
InChIKeyDQKLTYQXTNSRKX-UHFFFAOYSA-N
MW254.74 g/mol
LogP3.74
Rot. Bonds1

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

N-(3-chlorophenyl)-5-methyl-5H-1,2-thiazole-2-carboxamide (PubChem CID 19991364) has the molecular formula C11H11ClN2OS and a molecular weight of 254.74 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5-methyl-5H-1,2-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-5-methyl-5H-1,2-thiazole-2-carboxamide
PubChem CID19991364
Molecular FormulaC11H11ClN2OS
Molecular Weight254.74 g/mol
Exact Mass254.03
IUPAC NameN-(3-chlorophenyl)-5-methyl-5H-1,2-thiazole-2-carboxamide
SMILESCC1C=CN(C(=O)Nc2cccc(Cl)c2)S1
InChIInChI=1S/C11H11ClN2OS/c1-8-5-6-14(16-8)11(15)13-10-4-2-3-9(12)7-10/h2-8H,1H3,(H,13,15)
InChIKeyDQKLTYQXTNSRKX-UHFFFAOYSA-N
XLogP3.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.74
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5-methyl-5H-1,2-thiazole-2-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-5-methyl-5H-1,2-thiazole-2-carboxamide (CID 19991364) is N-(3-chlorophenyl)-5-methyl-5H-1,2-thiazole-2-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-5-methyl-5H-1,2-thiazole-2-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-5-methyl-5H-1,2-thiazole-2-carboxamide is CC1C=CN(C(=O)Nc2cccc(Cl)c2)S1.
What is the InChIKey of N-(3-chlorophenyl)-5-methyl-5H-1,2-thiazole-2-carboxamide?
The InChIKey is DQKLTYQXTNSRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2OS/c1-8-5-6-14(16-8)11(15)13-10-4-2-3-9(12)7-10/h2-8H,1H3,(H,13,15).
What are the key properties of N-(3-chlorophenyl)-5-methyl-5H-1,2-thiazole-2-carboxamide?
N-(3-chlorophenyl)-5-methyl-5H-1,2-thiazole-2-carboxamide has a molecular weight of 254.74 g/mol, XLogP of 3.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-5-methyl-5H-1,2-thiazole-2-carboxamide is sourced from PubChem (CID 19991364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).