1-[(2-amino-1,3-thiazol-5-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol

C10H14F3N3OS — CID 120902084

IUPAC1-[(2-amino-1,3-thiazol-5-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol
SMILESNc1ncc(CN2CCC(O)(C(F)(F)F)CC2)s1
InChIInChI=1S/C10H14F3N3OS/c11-10(12,13)9(17)1-3-16(4-2-9)6-7-5-15-8(14)18-7/h5,17H,1-4,6H2,(H2,14,15)
InChIKeyFMVYYEKCQORULC-UHFFFAOYSA-N
MW281.30 g/mol
LogP1.61
Rot. Bonds2

About 1-[(2-amino-1,3-thiazol-5-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol

1-[(2-amino-1,3-thiazol-5-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol (PubChem CID 120902084) has the molecular formula C10H14F3N3OS and a molecular weight of 281.30 g/mol. Its IUPAC name is 1-[(2-amino-1,3-thiazol-5-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[(2-amino-1,3-thiazol-5-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol
PubChem CID120902084
Molecular FormulaC10H14F3N3OS
Molecular Weight281.30 g/mol
Exact Mass281.08
IUPAC Name1-[(2-amino-1,3-thiazol-5-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol
SMILESNc1ncc(CN2CCC(O)(C(F)(F)F)CC2)s1
InChIInChI=1S/C10H14F3N3OS/c11-10(12,13)9(17)1-3-16(4-2-9)6-7-5-15-8(14)18-7/h5,17H,1-4,6H2,(H2,14,15)
InChIKeyFMVYYEKCQORULC-UHFFFAOYSA-N
XLogP1.61
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(2-amino-1,3-thiazol-5-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol
CID 113339911
5-[(4,4-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120903163
5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120899612
5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79771816
5-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine
CID 82171608
5-[[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120898152
(2R,4R)-9-[(2-amino-1,3-thiazol-5-yl)methyl]-2-tert-butyl-1-oxa-9-azaspiro[5.5]undecan-4-ol
CID 154565229
5-[[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120897629
5-(6-azaspiro[3.5]nonan-6-ylmethyl)-1,3-thiazol-2-amine
CID 120903504
5-[(4-tert-butylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120899501
5-[(8-methyl-2-azaspiro[4.4]nonan-2-yl)methyl]-1,3-thiazol-2-amine
CID 120902228
5-[(2-benzyl-2,8-diazaspiro[4.5]decan-8-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120904553

Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-1,3-thiazol-5-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol?
The IUPAC name of 1-[(2-amino-1,3-thiazol-5-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol (CID 120902084) is 1-[(2-amino-1,3-thiazol-5-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol.
What is the SMILES notation for 1-[(2-amino-1,3-thiazol-5-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol?
The canonical SMILES for 1-[(2-amino-1,3-thiazol-5-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol is Nc1ncc(CN2CCC(O)(C(F)(F)F)CC2)s1.
What is the InChIKey of 1-[(2-amino-1,3-thiazol-5-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol?
The InChIKey is FMVYYEKCQORULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3OS/c11-10(12,13)9(17)1-3-16(4-2-9)6-7-5-15-8(14)18-7/h5,17H,1-4,6H2,(H2,14,15).
What are the key properties of 1-[(2-amino-1,3-thiazol-5-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol?
1-[(2-amino-1,3-thiazol-5-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol has a molecular weight of 281.30 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-1,3-thiazol-5-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol is sourced from PubChem (CID 120902084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).