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

C10H13ClN2OS — CID 114305258

IUPACN-(2-chloro-2-cyclopropylethyl)-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCC(Cl)C2CC2)cs1
InChIInChI=1S/C10H13ClN2OS/c1-6-13-9(5-15-6)10(14)12-4-8(11)7-2-3-7/h5,7-8H,2-4H2,1H3,(H,12,14)
InChIKeyNJZGYVWSDPXXAG-UHFFFAOYSA-N
MW244.75 g/mol
LogP2.20
Rot. Bonds4

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

N-(2-chloro-2-cyclopropylethyl)-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 114305258) has the molecular formula C10H13ClN2OS and a molecular weight of 244.75 g/mol. Its IUPAC name is N-(2-chloro-2-cyclopropylethyl)-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-2-cyclopropylethyl)-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID114305258
Molecular FormulaC10H13ClN2OS
Molecular Weight244.75 g/mol
Exact Mass244.04
IUPAC NameN-(2-chloro-2-cyclopropylethyl)-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCC(Cl)C2CC2)cs1
InChIInChI=1S/C10H13ClN2OS/c1-6-13-9(5-15-6)10(14)12-4-8(11)7-2-3-7/h5,7-8H,2-4H2,1H3,(H,12,14)
InChIKeyNJZGYVWSDPXXAG-UHFFFAOYSA-N
XLogP2.20
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.75
LogP ≤ 52.20
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-(2-chloro-2-cyclopropylethyl)-1,3-thiazole-4-carboxamide
CID 114304998
N-(3-hydroxy-2-methylpropyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 65198786
2-cyclopropyl-2-hydroxy-1-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 131204307
4-methyl-5-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid
CID 82684188
N-(4-bromo-2-ethylbutyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 114317795
N-(2-bromoethyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 65198942
2-(2-aminoethyl)-N-(2,2-dicyclopropylethyl)-1,3-thiazole-4-carboxamide
CID 66388619
N-[(3-hydroxycyclohexyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 113241300
2-N-cyclopropyl-4-N-(2-methylpropyl)-1,3-thiazole-2,4-dicarboxamide
CID 53158467
N-(4-hydroxybutan-2-yl)-2-methyl-1,3-thiazole-4-carboxamide
CID 81048571
N-[2-(dimethylamino)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 110647682
N-(3-hydroxypentyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 115703844

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-2-cyclopropylethyl)-2-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-chloro-2-cyclopropylethyl)-2-methyl-1,3-thiazole-4-carboxamide (CID 114305258) is N-(2-chloro-2-cyclopropylethyl)-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-chloro-2-cyclopropylethyl)-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-chloro-2-cyclopropylethyl)-2-methyl-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)NCC(Cl)C2CC2)cs1.
What is the InChIKey of N-(2-chloro-2-cyclopropylethyl)-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is NJZGYVWSDPXXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2OS/c1-6-13-9(5-15-6)10(14)12-4-8(11)7-2-3-7/h5,7-8H,2-4H2,1H3,(H,12,14).
What are the key properties of N-(2-chloro-2-cyclopropylethyl)-2-methyl-1,3-thiazole-4-carboxamide?
N-(2-chloro-2-cyclopropylethyl)-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 244.75 g/mol, XLogP of 2.20, 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)-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 114305258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).