[4-chloro-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol

C9H10ClF3N2OS — CID 80693228

IUPAC[4-chloro-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol
SMILESOCc1sc(N(CC(F)(F)F)C2CC2)nc1Cl
InChIInChI=1S/C9H10ClF3N2OS/c10-7-6(3-16)17-8(14-7)15(5-1-2-5)4-9(11,12)13/h5,16H,1-4H2
InChIKeyZGCLRGRHAPKLMQ-UHFFFAOYSA-N
MW286.71 g/mol
LogP2.82
Rot. Bonds4

About [4-chloro-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol

[4-chloro-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol (PubChem CID 80693228) has the molecular formula C9H10ClF3N2OS and a molecular weight of 286.71 g/mol. Its IUPAC name is [4-chloro-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-chloro-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol
PubChem CID80693228
Molecular FormulaC9H10ClF3N2OS
Molecular Weight286.71 g/mol
Exact Mass286.02
IUPAC Name[4-chloro-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol
SMILESOCc1sc(N(CC(F)(F)F)C2CC2)nc1Cl
InChIInChI=1S/C9H10ClF3N2OS/c10-7-6(3-16)17-8(14-7)15(5-1-2-5)4-9(11,12)13/h5,16H,1-4H2
InChIKeyZGCLRGRHAPKLMQ-UHFFFAOYSA-N
XLogP2.82
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.71
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-chloro-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol (CID 80693228) is [4-chloro-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-chloro-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-chloro-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol is OCc1sc(N(CC(F)(F)F)C2CC2)nc1Cl.
What is the InChIKey of [4-chloro-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol?
The InChIKey is ZGCLRGRHAPKLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF3N2OS/c10-7-6(3-16)17-8(14-7)15(5-1-2-5)4-9(11,12)13/h5,16H,1-4H2.
What are the key properties of [4-chloro-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol?
[4-chloro-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol has a molecular weight of 286.71 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 80693228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).