2-chloro-N-(3,3,3-trifluoro-2-methylpropyl)-1,3-thiazol-4-amine

C7H8ClF3N2S — CID 130636500

IUPAC2-chloro-N-(3,3,3-trifluoro-2-methylpropyl)-1,3-thiazol-4-amine
SMILESCC(CNc1csc(Cl)n1)C(F)(F)F
InChIInChI=1S/C7H8ClF3N2S/c1-4(7(9,10)11)2-12-5-3-14-6(8)13-5/h3-4,12H,2H2,1H3
InChIKeyLUSMOQPNBKUGFV-UHFFFAOYSA-N
MW244.67 g/mol
LogP3.41
Rot. Bonds3

About 2-chloro-N-(3,3,3-trifluoro-2-methylpropyl)-1,3-thiazol-4-amine

2-chloro-N-(3,3,3-trifluoro-2-methylpropyl)-1,3-thiazol-4-amine (PubChem CID 130636500) has the molecular formula C7H8ClF3N2S and a molecular weight of 244.67 g/mol. Its IUPAC name is 2-chloro-N-(3,3,3-trifluoro-2-methylpropyl)-1,3-thiazol-4-amine.

Molecular Properties

Compound Name2-chloro-N-(3,3,3-trifluoro-2-methylpropyl)-1,3-thiazol-4-amine
PubChem CID130636500
Molecular FormulaC7H8ClF3N2S
Molecular Weight244.67 g/mol
Exact Mass244.00
IUPAC Name2-chloro-N-(3,3,3-trifluoro-2-methylpropyl)-1,3-thiazol-4-amine
SMILESCC(CNc1csc(Cl)n1)C(F)(F)F
InChIInChI=1S/C7H8ClF3N2S/c1-4(7(9,10)11)2-12-5-3-14-6(8)13-5/h3-4,12H,2H2,1H3
InChIKeyLUSMOQPNBKUGFV-UHFFFAOYSA-N
XLogP3.41
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.67
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,3,3-trifluoro-2-methylpropyl)-1,3-thiazol-4-amine?
The IUPAC name of 2-chloro-N-(3,3,3-trifluoro-2-methylpropyl)-1,3-thiazol-4-amine (CID 130636500) is 2-chloro-N-(3,3,3-trifluoro-2-methylpropyl)-1,3-thiazol-4-amine.
What is the SMILES notation for 2-chloro-N-(3,3,3-trifluoro-2-methylpropyl)-1,3-thiazol-4-amine?
The canonical SMILES for 2-chloro-N-(3,3,3-trifluoro-2-methylpropyl)-1,3-thiazol-4-amine is CC(CNc1csc(Cl)n1)C(F)(F)F.
What is the InChIKey of 2-chloro-N-(3,3,3-trifluoro-2-methylpropyl)-1,3-thiazol-4-amine?
The InChIKey is LUSMOQPNBKUGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClF3N2S/c1-4(7(9,10)11)2-12-5-3-14-6(8)13-5/h3-4,12H,2H2,1H3.
What are the key properties of 2-chloro-N-(3,3,3-trifluoro-2-methylpropyl)-1,3-thiazol-4-amine?
2-chloro-N-(3,3,3-trifluoro-2-methylpropyl)-1,3-thiazol-4-amine has a molecular weight of 244.67 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,3,3-trifluoro-2-methylpropyl)-1,3-thiazol-4-amine is sourced from PubChem (CID 130636500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).