N-butyl-N-(2-chloroethyl)-2-methyl-1,3-thiazole-4-carboxamide

C11H17ClN2OS — CID 65198714

IUPACN-butyl-N-(2-chloroethyl)-2-methyl-1,3-thiazole-4-carboxamide
SMILESCCCCN(CCCl)C(=O)c1csc(C)n1
InChIInChI=1S/C11H17ClN2OS/c1-3-4-6-14(7-5-12)11(15)10-8-16-9(2)13-10/h8H,3-7H2,1-2H3
InChIKeyGOXCPTPCAZTYEP-UHFFFAOYSA-N
MW260.79 g/mol
LogP2.93
Rot. Bonds6

About N-butyl-N-(2-chloroethyl)-2-methyl-1,3-thiazole-4-carboxamide

N-butyl-N-(2-chloroethyl)-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 65198714) has the molecular formula C11H17ClN2OS and a molecular weight of 260.79 g/mol. Its IUPAC name is N-butyl-N-(2-chloroethyl)-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-butyl-N-(2-chloroethyl)-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID65198714
Molecular FormulaC11H17ClN2OS
Molecular Weight260.79 g/mol
Exact Mass260.08
IUPAC NameN-butyl-N-(2-chloroethyl)-2-methyl-1,3-thiazole-4-carboxamide
SMILESCCCCN(CCCl)C(=O)c1csc(C)n1
InChIInChI=1S/C11H17ClN2OS/c1-3-4-6-14(7-5-12)11(15)10-8-16-9(2)13-10/h8H,3-7H2,1-2H3
InChIKeyGOXCPTPCAZTYEP-UHFFFAOYSA-N
XLogP2.93
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.79
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-N-(2-chloroethyl)-6-methylpyridine-2-carboxamide
CID 63390828
N-(2-chloroethyl)-2-methyl-N-pentan-3-yl-1,3-thiazole-4-carboxamide
CID 65198386
N-butyl-3-chloro-N-(2-chloroethyl)-4-methylthiophene-2-carboxamide
CID 103405838
N-(2-chloroethyl)-N-cyclohexyl-2-methyl-1,3-thiazole-4-carboxamide
CID 65198822
2-amino-N,N-dipentyl-1,3-thiazole-4-carboxamide
CID 62788074
N-butyl-N-(2-chloroethyl)pyridine-4-carboxamide
CID 63390664
N-butyl-N-(2-chloroethyl)benzamide
CID 63390876
N-butyl-N-(2-chloroethyl)-5-cyanopyridine-2-carboxamide
CID 55230022
N-butyl-N-(2-chloroethyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 114039284
2-(aminomethyl)-N-(2-amino-2-oxoethyl)-N-butyl-1,3-thiazole-4-carboxamide
CID 66376879
N-cyclobutyl-N-(2-hydroxyethyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 102684996
N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 103915350

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2-chloroethyl)-2-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-butyl-N-(2-chloroethyl)-2-methyl-1,3-thiazole-4-carboxamide (CID 65198714) is N-butyl-N-(2-chloroethyl)-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-butyl-N-(2-chloroethyl)-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-butyl-N-(2-chloroethyl)-2-methyl-1,3-thiazole-4-carboxamide is CCCCN(CCCl)C(=O)c1csc(C)n1.
What is the InChIKey of N-butyl-N-(2-chloroethyl)-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is GOXCPTPCAZTYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2OS/c1-3-4-6-14(7-5-12)11(15)10-8-16-9(2)13-10/h8H,3-7H2,1-2H3.
What are the key properties of N-butyl-N-(2-chloroethyl)-2-methyl-1,3-thiazole-4-carboxamide?
N-butyl-N-(2-chloroethyl)-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 260.79 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2-chloroethyl)-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 65198714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).