(1R,3R)-1-(4-fluorophenyl)-3-(1,3-thiazol-4-ylmethylamino)butan-1-ol

C14H17FN2OS — CID 97249715

IUPAC(1R,3R)-1-(4-fluorophenyl)-3-(1,3-thiazol-4-ylmethylamino)butan-1-ol
SMILESC[C@H](C[C@@H](O)c1ccc(F)cc1)NCc1cscn1
InChIInChI=1S/C14H17FN2OS/c1-10(16-7-13-8-19-9-17-13)6-14(18)11-2-4-12(15)5-3-11/h2-5,8-10,14,16,18H,6-7H2,1H3/t10-,14-/m1/s1
InChIKeyDRSJEVNADALRGC-QMTHXVAHSA-N
MW280.37 g/mol
LogP2.88
Rot. Bonds6

About (1R,3R)-1-(4-fluorophenyl)-3-(1,3-thiazol-4-ylmethylamino)butan-1-ol

(1R,3R)-1-(4-fluorophenyl)-3-(1,3-thiazol-4-ylmethylamino)butan-1-ol (PubChem CID 97249715) has the molecular formula C14H17FN2OS and a molecular weight of 280.37 g/mol. Its IUPAC name is (1R,3R)-1-(4-fluorophenyl)-3-(1,3-thiazol-4-ylmethylamino)butan-1-ol.

Molecular Properties

Compound Name(1R,3R)-1-(4-fluorophenyl)-3-(1,3-thiazol-4-ylmethylamino)butan-1-ol
PubChem CID97249715
Molecular FormulaC14H17FN2OS
Molecular Weight280.37 g/mol
Exact Mass280.10
IUPAC Name(1R,3R)-1-(4-fluorophenyl)-3-(1,3-thiazol-4-ylmethylamino)butan-1-ol
SMILESC[C@H](C[C@@H](O)c1ccc(F)cc1)NCc1cscn1
InChIInChI=1S/C14H17FN2OS/c1-10(16-7-13-8-19-9-17-13)6-14(18)11-2-4-12(15)5-3-11/h2-5,8-10,14,16,18H,6-7H2,1H3/t10-,14-/m1/s1
InChIKeyDRSJEVNADALRGC-QMTHXVAHSA-N
XLogP2.88
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 62049333
(1S,3S)-1-(4-fluorophenyl)-3-(1H-imidazol-2-ylmethylamino)butan-1-ol
CID 97249720
3-(1,3-thiazol-4-ylmethylamino)butan-1-ol
CID 78997840
(1S)-1-(4-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 81349492
(1R)-1-(4-bromophenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 78921782
N-(1,3-thiazol-4-ylmethyl)pent-4-yn-2-amine
CID 115660275
2-[(4-fluorophenyl)sulfonylamino]-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 75191814
(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 46388558
N-(1,3-thiazol-4-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 47067965
1-(3,5-dimethylphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 78950293
1-(4-fluorophenyl)-3-methylbutan-1-ol
CID 60797473
6-methyl-N-(1,3-thiazol-4-ylmethyl)hept-5-en-2-amine
CID 115715037

Frequently Asked Questions

What is the IUPAC name of (1R,3R)-1-(4-fluorophenyl)-3-(1,3-thiazol-4-ylmethylamino)butan-1-ol?
The IUPAC name of (1R,3R)-1-(4-fluorophenyl)-3-(1,3-thiazol-4-ylmethylamino)butan-1-ol (CID 97249715) is (1R,3R)-1-(4-fluorophenyl)-3-(1,3-thiazol-4-ylmethylamino)butan-1-ol.
What is the SMILES notation for (1R,3R)-1-(4-fluorophenyl)-3-(1,3-thiazol-4-ylmethylamino)butan-1-ol?
The canonical SMILES for (1R,3R)-1-(4-fluorophenyl)-3-(1,3-thiazol-4-ylmethylamino)butan-1-ol is C[C@H](C[C@@H](O)c1ccc(F)cc1)NCc1cscn1.
What is the InChIKey of (1R,3R)-1-(4-fluorophenyl)-3-(1,3-thiazol-4-ylmethylamino)butan-1-ol?
The InChIKey is DRSJEVNADALRGC-QMTHXVAHSA-N. The full InChI is InChI=1S/C14H17FN2OS/c1-10(16-7-13-8-19-9-17-13)6-14(18)11-2-4-12(15)5-3-11/h2-5,8-10,14,16,18H,6-7H2,1H3/t10-,14-/m1/s1.
What are the key properties of (1R,3R)-1-(4-fluorophenyl)-3-(1,3-thiazol-4-ylmethylamino)butan-1-ol?
(1R,3R)-1-(4-fluorophenyl)-3-(1,3-thiazol-4-ylmethylamino)butan-1-ol has a molecular weight of 280.37 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R)-1-(4-fluorophenyl)-3-(1,3-thiazol-4-ylmethylamino)butan-1-ol is sourced from PubChem (CID 97249715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).