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

C9H13F3N2OS — CID 63901656

IUPAC1,1,1-trifluoro-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-2-ol
SMILESCc1ncsc1CN(C)CC(O)C(F)(F)F
InChIInChI=1S/C9H13F3N2OS/c1-6-7(16-5-13-6)3-14(2)4-8(15)9(10,11)12/h5,8,15H,3-4H2,1-2H3
InChIKeyWSQSYCOJJOAVKE-UHFFFAOYSA-N
MW254.28 g/mol
LogP1.81
Rot. Bonds4

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

1,1,1-trifluoro-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-2-ol (PubChem CID 63901656) has the molecular formula C9H13F3N2OS and a molecular weight of 254.28 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-2-ol
PubChem CID63901656
Molecular FormulaC9H13F3N2OS
Molecular Weight254.28 g/mol
Exact Mass254.07
IUPAC Name1,1,1-trifluoro-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-2-ol
SMILESCc1ncsc1CN(C)CC(O)C(F)(F)F
InChIInChI=1S/C9H13F3N2OS/c1-6-7(16-5-13-6)3-14(2)4-8(15)9(10,11)12/h5,8,15H,3-4H2,1-2H3
InChIKeyWSQSYCOJJOAVKE-UHFFFAOYSA-N
XLogP1.81
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-2-ol (CID 63901656) is 1,1,1-trifluoro-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-2-ol is Cc1ncsc1CN(C)CC(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-2-ol?
The InChIKey is WSQSYCOJJOAVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2OS/c1-6-7(16-5-13-6)3-14(2)4-8(15)9(10,11)12/h5,8,15H,3-4H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-2-ol?
1,1,1-trifluoro-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-2-ol has a molecular weight of 254.28 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-2-ol is sourced from PubChem (CID 63901656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).