2-chloro-N-(2-cyclopropyl-2,2-difluoroethyl)-1,3-thiazol-4-amine

C8H9ClF2N2S — CID 130678892

IUPAC2-chloro-N-(2-cyclopropyl-2,2-difluoroethyl)-1,3-thiazol-4-amine
SMILESFC(F)(CNc1csc(Cl)n1)C1CC1
InChIInChI=1S/C8H9ClF2N2S/c9-7-13-6(3-14-7)12-4-8(10,11)5-1-2-5/h3,5,12H,1-2,4H2
InChIKeyXTNQCJVLXHZQQS-UHFFFAOYSA-N
MW238.69 g/mol
LogP3.25
Rot. Bonds4

About 2-chloro-N-(2-cyclopropyl-2,2-difluoroethyl)-1,3-thiazol-4-amine

2-chloro-N-(2-cyclopropyl-2,2-difluoroethyl)-1,3-thiazol-4-amine (PubChem CID 130678892) has the molecular formula C8H9ClF2N2S and a molecular weight of 238.69 g/mol. Its IUPAC name is 2-chloro-N-(2-cyclopropyl-2,2-difluoroethyl)-1,3-thiazol-4-amine.

Molecular Properties

Compound Name2-chloro-N-(2-cyclopropyl-2,2-difluoroethyl)-1,3-thiazol-4-amine
PubChem CID130678892
Molecular FormulaC8H9ClF2N2S
Molecular Weight238.69 g/mol
Exact Mass238.01
IUPAC Name2-chloro-N-(2-cyclopropyl-2,2-difluoroethyl)-1,3-thiazol-4-amine
SMILESFC(F)(CNc1csc(Cl)n1)C1CC1
InChIInChI=1S/C8H9ClF2N2S/c9-7-13-6(3-14-7)12-4-8(10,11)5-1-2-5/h3,5,12H,1-2,4H2
InChIKeyXTNQCJVLXHZQQS-UHFFFAOYSA-N
XLogP3.25
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.69
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazol-4-amine;hydrochloride
CID 175417371
4-chloro-N-(5,5,5-trifluoropentyl)-1,3-thiazol-2-amine
CID 83152085
2-chloro-N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-1,3-thiazol-4-amine
CID 126987222
2-chloro-N-[(1R,2R)-2-fluorocyclohexyl]-1,3-thiazol-4-amine
CID 127004580
2-chloro-N-(3,3,3-trifluoro-2-methylpropyl)-1,3-thiazol-4-amine
CID 130636500
2-chloro-N-[(1-fluorocyclobutyl)methyl]-1,3-thiazol-4-amine
CID 130650570
2-chloro-N-[(1R,2S)-2-fluorocyclopentyl]-1,3-thiazol-4-amine
CID 130654011
2-chloro-N-(4,4-difluorobutan-2-yl)-1,3-thiazol-4-amine
CID 130688681
2-chloro-N-(3,3-difluorocyclobutyl)-1,3-thiazol-4-amine
CID 131038137
4-chloro-N-[(3,3-difluorocyclobutyl)methyl]-1,3-thiazol-2-amine
CID 131207542
N-methyl-2-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazol-4-amine
CID 175417372
4-N-[(2S)-2-methylbutyl]-1,3-thiazole-2,4-diamine
CID 56986236

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-cyclopropyl-2,2-difluoroethyl)-1,3-thiazol-4-amine?
The IUPAC name of 2-chloro-N-(2-cyclopropyl-2,2-difluoroethyl)-1,3-thiazol-4-amine (CID 130678892) is 2-chloro-N-(2-cyclopropyl-2,2-difluoroethyl)-1,3-thiazol-4-amine.
What is the SMILES notation for 2-chloro-N-(2-cyclopropyl-2,2-difluoroethyl)-1,3-thiazol-4-amine?
The canonical SMILES for 2-chloro-N-(2-cyclopropyl-2,2-difluoroethyl)-1,3-thiazol-4-amine is FC(F)(CNc1csc(Cl)n1)C1CC1.
What is the InChIKey of 2-chloro-N-(2-cyclopropyl-2,2-difluoroethyl)-1,3-thiazol-4-amine?
The InChIKey is XTNQCJVLXHZQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF2N2S/c9-7-13-6(3-14-7)12-4-8(10,11)5-1-2-5/h3,5,12H,1-2,4H2.
What are the key properties of 2-chloro-N-(2-cyclopropyl-2,2-difluoroethyl)-1,3-thiazol-4-amine?
2-chloro-N-(2-cyclopropyl-2,2-difluoroethyl)-1,3-thiazol-4-amine has a molecular weight of 238.69 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-cyclopropyl-2,2-difluoroethyl)-1,3-thiazol-4-amine is sourced from PubChem (CID 130678892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).