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

C14H15F3N2OS — CID 170892960

IUPAC2-amino-3-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-ol
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)sc1CC(N)CO
InChIInChI=1S/C14H15F3N2OS/c1-8-12(6-11(18)7-20)21-13(19-8)9-2-4-10(5-3-9)14(15,16)17/h2-5,11,20H,6-7,18H2,1H3
InChIKeyOBAAFJWBAZHCGN-UHFFFAOYSA-N
MW316.35 g/mol
LogP3.00
Rot. Bonds4

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

2-amino-3-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-ol (PubChem CID 170892960) has the molecular formula C14H15F3N2OS and a molecular weight of 316.35 g/mol. Its IUPAC name is 2-amino-3-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-ol.

Molecular Properties

Compound Name2-amino-3-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-ol
PubChem CID170892960
Molecular FormulaC14H15F3N2OS
Molecular Weight316.35 g/mol
Exact Mass316.09
IUPAC Name2-amino-3-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-ol
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)sc1CC(N)CO
InChIInChI=1S/C14H15F3N2OS/c1-8-12(6-11(18)7-20)21-13(19-8)9-2-4-10(5-3-9)14(15,16)17/h2-5,11,20H,6-7,18H2,1H3
InChIKeyOBAAFJWBAZHCGN-UHFFFAOYSA-N
XLogP3.00
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-ol?
The IUPAC name of 2-amino-3-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-ol (CID 170892960) is 2-amino-3-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-ol.
What is the SMILES notation for 2-amino-3-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-ol?
The canonical SMILES for 2-amino-3-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-ol is Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CC(N)CO.
What is the InChIKey of 2-amino-3-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-ol?
The InChIKey is OBAAFJWBAZHCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2OS/c1-8-12(6-11(18)7-20)21-13(19-8)9-2-4-10(5-3-9)14(15,16)17/h2-5,11,20H,6-7,18H2,1H3.
What are the key properties of 2-amino-3-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-ol?
2-amino-3-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-ol has a molecular weight of 316.35 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-ol is sourced from PubChem (CID 170892960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).