1-(2-amino-1,3-thiazol-5-yl)-4-(trifluoromethyl)cyclohexan-1-ol

C10H13F3N2OS — CID 113370208

IUPAC1-(2-amino-1,3-thiazol-5-yl)-4-(trifluoromethyl)cyclohexan-1-ol
SMILESNc1ncc(C2(O)CCC(C(F)(F)F)CC2)s1
InChIInChI=1S/C10H13F3N2OS/c11-10(12,13)6-1-3-9(16,4-2-6)7-5-15-8(14)17-7/h5-6,16H,1-4H2,(H2,14,15)
InChIKeyXSHWOUPSZJTWSS-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.67
Rot. Bonds1

About 1-(2-amino-1,3-thiazol-5-yl)-4-(trifluoromethyl)cyclohexan-1-ol

1-(2-amino-1,3-thiazol-5-yl)-4-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 113370208) has the molecular formula C10H13F3N2OS and a molecular weight of 266.29 g/mol. Its IUPAC name is 1-(2-amino-1,3-thiazol-5-yl)-4-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(2-amino-1,3-thiazol-5-yl)-4-(trifluoromethyl)cyclohexan-1-ol
PubChem CID113370208
Molecular FormulaC10H13F3N2OS
Molecular Weight266.29 g/mol
Exact Mass266.07
IUPAC Name1-(2-amino-1,3-thiazol-5-yl)-4-(trifluoromethyl)cyclohexan-1-ol
SMILESNc1ncc(C2(O)CCC(C(F)(F)F)CC2)s1
InChIInChI=1S/C10H13F3N2OS/c11-10(12,13)6-1-3-9(16,4-2-6)7-5-15-8(14)17-7/h5-6,16H,1-4H2,(H2,14,15)
InChIKeyXSHWOUPSZJTWSS-UHFFFAOYSA-N
XLogP2.67
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Amino-1,3-thiazol-5-yl)cyclobutan-1-ol
CID 22731376
1-(2-Amino-1,3-thiazol-5-yl)cyclohexan-1-ol
CID 75481407
1-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol
CID 106781945
4-Propyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol
CID 106781947
4-Methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol
CID 106781948
4-Ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol
CID 106781951
4-Propan-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol
CID 106781995
4,4-Dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol
CID 106782124
4-(Trifluoromethyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol
CID 106782130
1-(2-Amino-1,3-thiazol-5-yl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 113370209
2-(2-Amino-1,3-thiazol-5-yl)-6,6,6-trifluorohexan-2-ol
CID 116535982
4,4-Difluoro-1-(1,3-thiazol-5-yl)cyclohexan-1-ol
CID 164659229

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-1,3-thiazol-5-yl)-4-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 1-(2-amino-1,3-thiazol-5-yl)-4-(trifluoromethyl)cyclohexan-1-ol (CID 113370208) is 1-(2-amino-1,3-thiazol-5-yl)-4-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(2-amino-1,3-thiazol-5-yl)-4-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 1-(2-amino-1,3-thiazol-5-yl)-4-(trifluoromethyl)cyclohexan-1-ol is Nc1ncc(C2(O)CCC(C(F)(F)F)CC2)s1.
What is the InChIKey of 1-(2-amino-1,3-thiazol-5-yl)-4-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is XSHWOUPSZJTWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2OS/c11-10(12,13)6-1-3-9(16,4-2-6)7-5-15-8(14)17-7/h5-6,16H,1-4H2,(H2,14,15).
What are the key properties of 1-(2-amino-1,3-thiazol-5-yl)-4-(trifluoromethyl)cyclohexan-1-ol?
1-(2-amino-1,3-thiazol-5-yl)-4-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 266.29 g/mol, XLogP of 2.67, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-1,3-thiazol-5-yl)-4-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 113370208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).