4-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

C8H11F3N2S — CID 58111294

IUPAC4-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCC(C)c1csc(NCC(F)(F)F)n1
InChIInChI=1S/C8H11F3N2S/c1-5(2)6-3-14-7(13-6)12-4-8(9,10)11/h3,5H,4H2,1-2H3,(H,12,13)
InChIKeyAOCTWFCHGPSMPT-UHFFFAOYSA-N
MW224.25 g/mol
LogP3.24
Rot. Bonds3

About 4-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

4-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (PubChem CID 58111294) has the molecular formula C8H11F3N2S and a molecular weight of 224.25 g/mol. Its IUPAC name is 4-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
PubChem CID58111294
Molecular FormulaC8H11F3N2S
Molecular Weight224.25 g/mol
Exact Mass224.06
IUPAC Name4-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCC(C)c1csc(NCC(F)(F)F)n1
InChIInChI=1S/C8H11F3N2S/c1-5(2)6-3-14-7(13-6)12-4-8(9,10)11/h3,5H,4H2,1-2H3,(H,12,13)
InChIKeyAOCTWFCHGPSMPT-UHFFFAOYSA-N
XLogP3.24
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Propan-2-yl)-1,3-thiazol-2-amine
CID 7064077
4-tert-butyl-N-methyl-1,3-thiazol-2-amine
CID 4175801
4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 29268625
4-tert-butyl-N-(3,4-dihydro-2H-pyrrol-5-yl)-1,3-thiazol-2-amine
CID 2123303
4-(1,1-Difluoroethyl)-1,3-thiazol-2-amine
CID 84764768
4-(Propan-2-yl)-1,3-thiazol-2-amine hydrochloride
CID 54595498
N-Prop-2-enyl-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 178204
N-ethyl-4-methyl-1,3-thiazol-2-amine
CID 23074121
2-Isopropylamino-4-ethylthiazole
CID 58336980
N-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 178202
N-ethyl-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 178203
N-propan-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 178205

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (CID 58111294) is 4-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is CC(C)c1csc(NCC(F)(F)F)n1.
What is the InChIKey of 4-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is AOCTWFCHGPSMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2S/c1-5(2)6-3-14-7(13-6)12-4-8(9,10)11/h3,5H,4H2,1-2H3,(H,12,13).
What are the key properties of 4-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
4-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine has a molecular weight of 224.25 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 58111294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).