1-[2-amino-4-[2-chloro-5-(trifluoromethyl)phenyl]sulfanyl-2,3-dihydro-1,3-thiazol-5-yl]butan-1-ol

C14H16ClF3N2OS2 — CID 140558293

IUPAC1-[2-amino-4-[2-chloro-5-(trifluoromethyl)phenyl]sulfanyl-2,3-dihydro-1,3-thiazol-5-yl]butan-1-ol
SMILESCCCC(O)C1=C(Sc2cc(C(F)(F)F)ccc2Cl)NC(N)S1
InChIInChI=1S/C14H16ClF3N2OS2/c1-2-3-9(21)11-12(20-13(19)23-11)22-10-6-7(14(16,17)18)4-5-8(10)15/h4-6,9,13,20-21H,2-3,19H2,1H3
InChIKeyFDVMMLCAMUWTMU-UHFFFAOYSA-N
MW384.88 g/mol
LogP4.36
Rot. Bonds5

About 1-[2-amino-4-[2-chloro-5-(trifluoromethyl)phenyl]sulfanyl-2,3-dihydro-1,3-thiazol-5-yl]butan-1-ol

1-[2-amino-4-[2-chloro-5-(trifluoromethyl)phenyl]sulfanyl-2,3-dihydro-1,3-thiazol-5-yl]butan-1-ol (PubChem CID 140558293) has the molecular formula C14H16ClF3N2OS2 and a molecular weight of 384.88 g/mol. Its IUPAC name is 1-[2-amino-4-[2-chloro-5-(trifluoromethyl)phenyl]sulfanyl-2,3-dihydro-1,3-thiazol-5-yl]butan-1-ol.

Molecular Properties

Compound Name1-[2-amino-4-[2-chloro-5-(trifluoromethyl)phenyl]sulfanyl-2,3-dihydro-1,3-thiazol-5-yl]butan-1-ol
PubChem CID140558293
Molecular FormulaC14H16ClF3N2OS2
Molecular Weight384.88 g/mol
Exact Mass384.03
IUPAC Name1-[2-amino-4-[2-chloro-5-(trifluoromethyl)phenyl]sulfanyl-2,3-dihydro-1,3-thiazol-5-yl]butan-1-ol
SMILESCCCC(O)C1=C(Sc2cc(C(F)(F)F)ccc2Cl)NC(N)S1
InChIInChI=1S/C14H16ClF3N2OS2/c1-2-3-9(21)11-12(20-13(19)23-11)22-10-6-7(14(16,17)18)4-5-8(10)15/h4-6,9,13,20-21H,2-3,19H2,1H3
InChIKeyFDVMMLCAMUWTMU-UHFFFAOYSA-N
XLogP4.36
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.88
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[2-amino-4-[2-chloro-5-(trifluoromethyl)phenyl]sulfanyl-2,3-dihydro-1,3-thiazol-5-yl]butan-1-ol with MolForge

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Related Compounds

(1R,2S)-1-amino-1-[2,5-bis(trifluoromethyl)phenyl]pentan-2-ol
CID 171263740
(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]pentan-1-amine
CID 171209582
(1R,3R)-3-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-4,4-dimethylpentan-1-ol
CID 171237640
(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]pentan-1-amine;hydrochloride
CID 171209583
(1S,3R)-3-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-4,4,4-trifluorobutan-1-ol
CID 171237488
N-[2-chloro-5-(trifluoromethyl)phenyl]sulfanylmethanamine;cyclohexylmethanamine
CID 142230865
1-[2-chloro-5-(trifluoromethyl)phenyl]-2-(methylamino)ethanol
CID 84707989
(1S,2S)-1-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]propan-2-ol
CID 131404288
1-[2-chloro-5-(trifluoromethyl)phenyl]sulfanyl-1-(2,3-dihydro-1,2-thiazol-5-yl)butan-1-ol
CID 140709438
1-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-ol
CID 59729414
4-[2-[2-chloro-5-(trifluoromethyl)phenyl]sulfanyl-1,3-thiazol-5-yl]butan-1-ol
CID 154167525
1-[(1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylpentyl]piperazine;hydrochloride
CID 171166477

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-4-[2-chloro-5-(trifluoromethyl)phenyl]sulfanyl-2,3-dihydro-1,3-thiazol-5-yl]butan-1-ol?
The IUPAC name of 1-[2-amino-4-[2-chloro-5-(trifluoromethyl)phenyl]sulfanyl-2,3-dihydro-1,3-thiazol-5-yl]butan-1-ol (CID 140558293) is 1-[2-amino-4-[2-chloro-5-(trifluoromethyl)phenyl]sulfanyl-2,3-dihydro-1,3-thiazol-5-yl]butan-1-ol.
What is the SMILES notation for 1-[2-amino-4-[2-chloro-5-(trifluoromethyl)phenyl]sulfanyl-2,3-dihydro-1,3-thiazol-5-yl]butan-1-ol?
The canonical SMILES for 1-[2-amino-4-[2-chloro-5-(trifluoromethyl)phenyl]sulfanyl-2,3-dihydro-1,3-thiazol-5-yl]butan-1-ol is CCCC(O)C1=C(Sc2cc(C(F)(F)F)ccc2Cl)NC(N)S1.
What is the InChIKey of 1-[2-amino-4-[2-chloro-5-(trifluoromethyl)phenyl]sulfanyl-2,3-dihydro-1,3-thiazol-5-yl]butan-1-ol?
The InChIKey is FDVMMLCAMUWTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClF3N2OS2/c1-2-3-9(21)11-12(20-13(19)23-11)22-10-6-7(14(16,17)18)4-5-8(10)15/h4-6,9,13,20-21H,2-3,19H2,1H3.
What are the key properties of 1-[2-amino-4-[2-chloro-5-(trifluoromethyl)phenyl]sulfanyl-2,3-dihydro-1,3-thiazol-5-yl]butan-1-ol?
1-[2-amino-4-[2-chloro-5-(trifluoromethyl)phenyl]sulfanyl-2,3-dihydro-1,3-thiazol-5-yl]butan-1-ol has a molecular weight of 384.88 g/mol, XLogP of 4.36, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-4-[2-chloro-5-(trifluoromethyl)phenyl]sulfanyl-2,3-dihydro-1,3-thiazol-5-yl]butan-1-ol is sourced from PubChem (CID 140558293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).