4-chloro-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

C8H10ClF3N2S — CID 83156710

IUPAC4-chloro-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCCCN(CC(F)(F)F)c1nc(Cl)cs1
InChIInChI=1S/C8H10ClF3N2S/c1-2-3-14(5-8(10,11)12)7-13-6(9)4-15-7/h4H,2-3,5H2,1H3
InChIKeyUDUCVQOFEUTNAJ-UHFFFAOYSA-N
MW258.70 g/mol
LogP3.58
Rot. Bonds4

About 4-chloro-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

4-chloro-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (PubChem CID 83156710) has the molecular formula C8H10ClF3N2S and a molecular weight of 258.70 g/mol. Its IUPAC name is 4-chloro-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-chloro-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
PubChem CID83156710
Molecular FormulaC8H10ClF3N2S
Molecular Weight258.70 g/mol
Exact Mass258.02
IUPAC Name4-chloro-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCCCN(CC(F)(F)F)c1nc(Cl)cs1
InChIInChI=1S/C8H10ClF3N2S/c1-2-3-14(5-8(10,11)12)7-13-6(9)4-15-7/h4H,2-3,5H2,1H3
InChIKeyUDUCVQOFEUTNAJ-UHFFFAOYSA-N
XLogP3.58
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.70
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 79398922
4-bromo-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 79399535
4-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 79399659
4-bromo-N-methyl-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine
CID 79399802
4-chloro-N-(2,2-difluoroethyl)-1,3-thiazol-2-amine
CID 83151845
4-chloro-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine
CID 83151949
4-chloro-N-(4,4,4-trifluorobutyl)-1,3-thiazol-2-amine
CID 83151966
4-chloro-N-(5,5,5-trifluoropentyl)-1,3-thiazol-2-amine
CID 83152085
4-chloro-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 83152517
4-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 83155974
4-chloro-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 83156445
4-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 83156585

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-chloro-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (CID 83156710) is 4-chloro-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-chloro-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-chloro-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is CCCN(CC(F)(F)F)c1nc(Cl)cs1.
What is the InChIKey of 4-chloro-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is UDUCVQOFEUTNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClF3N2S/c1-2-3-14(5-8(10,11)12)7-13-6(9)4-15-7/h4H,2-3,5H2,1H3.
What are the key properties of 4-chloro-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
4-chloro-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine has a molecular weight of 258.70 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 83156710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).