N-(2-chloro-2-cyclopropylethyl)-1,3-thiazole-4-carboxamide

C9H11ClN2OS — CID 114304998

IUPACN-(2-chloro-2-cyclopropylethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCC(Cl)C1CC1)c1cscn1
InChIInChI=1S/C9H11ClN2OS/c10-7(6-1-2-6)3-11-9(13)8-4-14-5-12-8/h4-7H,1-3H2,(H,11,13)
InChIKeyBKJOWOLZHKFUHO-UHFFFAOYSA-N
MW230.72 g/mol
LogP1.89
Rot. Bonds4

About N-(2-chloro-2-cyclopropylethyl)-1,3-thiazole-4-carboxamide

N-(2-chloro-2-cyclopropylethyl)-1,3-thiazole-4-carboxamide (PubChem CID 114304998) has the molecular formula C9H11ClN2OS and a molecular weight of 230.72 g/mol. Its IUPAC name is N-(2-chloro-2-cyclopropylethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-2-cyclopropylethyl)-1,3-thiazole-4-carboxamide
PubChem CID114304998
Molecular FormulaC9H11ClN2OS
Molecular Weight230.72 g/mol
Exact Mass230.03
IUPAC NameN-(2-chloro-2-cyclopropylethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCC(Cl)C1CC1)c1cscn1
InChIInChI=1S/C9H11ClN2OS/c10-7(6-1-2-6)3-11-9(13)8-4-14-5-12-8/h4-7H,1-3H2,(H,11,13)
InChIKeyBKJOWOLZHKFUHO-UHFFFAOYSA-N
XLogP1.89
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.72
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-1,3-thiazole-4-carboxamide
CID 62045802
N-(3-fluoro-3-methylcyclobutyl)-1,3-thiazole-4-carboxamide
CID 126791350
N-[2-oxo-2-[(1-propan-2-ylcyclopropyl)amino]ethyl]-1,3-thiazole-4-carboxamide
CID 137980653
Dimethyl(3-((4-thiazolylcarbonyl)amino)propyl)sulfonium chloride
CID 149812
N-(5,5,5-trifluoropentyl)-1,3-thiazole-4-carboxamide
CID 115491580
N-[(3,3-difluorocyclobutyl)methyl]-1,3-thiazole-4-carboxamide
CID 131043347
N-[2-[[1-(fluoromethyl)cyclopropyl]methylamino]-2-oxoethyl]-1,3-thiazole-4-carboxamide
CID 138005047
N-(2-aminoethyl)-1,3-thiazole-4-carboxamide
CID 13800309
N-(2-aminoethyl)thiazole-4-carboxamide dihydrochloride
CID 13800310
N-butyl-1,3-thiazole-4-carboxamide
CID 57957278
N-[2-(2-methylpropanoylamino)ethyl]-1,3-thiazole-4-carboxamide
CID 62044831
N-pentyl-1,3-thiazole-4-carboxamide
CID 62045475

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-2-cyclopropylethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-chloro-2-cyclopropylethyl)-1,3-thiazole-4-carboxamide (CID 114304998) is N-(2-chloro-2-cyclopropylethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-chloro-2-cyclopropylethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-chloro-2-cyclopropylethyl)-1,3-thiazole-4-carboxamide is O=C(NCC(Cl)C1CC1)c1cscn1.
What is the InChIKey of N-(2-chloro-2-cyclopropylethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is BKJOWOLZHKFUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2OS/c10-7(6-1-2-6)3-11-9(13)8-4-14-5-12-8/h4-7H,1-3H2,(H,11,13).
What are the key properties of N-(2-chloro-2-cyclopropylethyl)-1,3-thiazole-4-carboxamide?
N-(2-chloro-2-cyclopropylethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 230.72 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-2-cyclopropylethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 114304998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).