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

C14H17FN2OS — CID 111466927

IUPAC1-(4-fluorophenyl)-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]propan-1-ol
SMILESCc1ncsc1CNC(C)C(O)c1ccc(F)cc1
InChIInChI=1S/C14H17FN2OS/c1-9-13(19-8-17-9)7-16-10(2)14(18)11-3-5-12(15)6-4-11/h3-6,8,10,14,16,18H,7H2,1-2H3
InChIKeyWPCONHJKUIRDRI-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.80
Rot. Bonds5

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

1-(4-fluorophenyl)-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]propan-1-ol (PubChem CID 111466927) has the molecular formula C14H17FN2OS and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]propan-1-ol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]propan-1-ol
PubChem CID111466927
Molecular FormulaC14H17FN2OS
Molecular Weight280.37 g/mol
Exact Mass280.10
IUPAC Name1-(4-fluorophenyl)-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]propan-1-ol
SMILESCc1ncsc1CNC(C)C(O)c1ccc(F)cc1
InChIInChI=1S/C14H17FN2OS/c1-9-13(19-8-17-9)7-16-10(2)14(18)11-3-5-12(15)6-4-11/h3-6,8,10,14,16,18H,7H2,1-2H3
InChIKeyWPCONHJKUIRDRI-UHFFFAOYSA-N
XLogP2.80
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butan-2-amine
CID 95377617
1-(4-fluorophenyl)-2-[(4-methylphenyl)methylamino]propan-1-ol
CID 82313108
1-(4-fluorophenyl)-2-(1H-imidazol-2-ylmethylamino)propan-1-ol
CID 111422085
(1S)-1-(4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 81371084
1-(3-fluoro-4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 63279811
5-fluoro-N,N-dimethyl-2-[1-[(4-methyl-1,3-thiazol-5-yl)methylamino]ethyl]aniline
CID 75427897
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,1-diphenylmethanamine
CID 63280223
(2R)-2-hydroxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 130609015
(4-fluorophenyl)-(4-methyl-1,3-thiazol-5-yl)methanol
CID 22101844
N-[(4-methyl-1,3-thiazol-5-yl)methyl]but-3-en-2-amine
CID 115691099
(1S)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-thiophen-2-ylethanamine
CID 81398219
N-ethyl-2-(4-fluorophenyl)-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
CID 79441697

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]propan-1-ol?
The IUPAC name of 1-(4-fluorophenyl)-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]propan-1-ol (CID 111466927) is 1-(4-fluorophenyl)-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]propan-1-ol.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]propan-1-ol?
The canonical SMILES for 1-(4-fluorophenyl)-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]propan-1-ol is Cc1ncsc1CNC(C)C(O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]propan-1-ol?
The InChIKey is WPCONHJKUIRDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2OS/c1-9-13(19-8-17-9)7-16-10(2)14(18)11-3-5-12(15)6-4-11/h3-6,8,10,14,16,18H,7H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]propan-1-ol?
1-(4-fluorophenyl)-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]propan-1-ol has a molecular weight of 280.37 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]propan-1-ol is sourced from PubChem (CID 111466927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).