4-ethylsulfanyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-ol

C15H19NOS2 — CID 116504657

IUPAC4-ethylsulfanyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-ol
SMILESCCSCCC(O)Cc1nc(-c2ccccc2)cs1
InChIInChI=1S/C15H19NOS2/c1-2-18-9-8-13(17)10-15-16-14(11-19-15)12-6-4-3-5-7-12/h3-7,11,13,17H,2,8-10H2,1H3
InChIKeyKJWQALUNLCXZQK-UHFFFAOYSA-N
MW293.46 g/mol
LogP3.86
Rot. Bonds7

About 4-ethylsulfanyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-ol

4-ethylsulfanyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-ol (PubChem CID 116504657) has the molecular formula C15H19NOS2 and a molecular weight of 293.46 g/mol. Its IUPAC name is 4-ethylsulfanyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-ol.

Molecular Properties

Compound Name4-ethylsulfanyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-ol
PubChem CID116504657
Molecular FormulaC15H19NOS2
Molecular Weight293.46 g/mol
Exact Mass293.09
IUPAC Name4-ethylsulfanyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-ol
SMILESCCSCCC(O)Cc1nc(-c2ccccc2)cs1
InChIInChI=1S/C15H19NOS2/c1-2-18-9-8-13(17)10-15-16-14(11-19-15)12-6-4-3-5-7-12/h3-7,11,13,17H,2,8-10H2,1H3
InChIKeyKJWQALUNLCXZQK-UHFFFAOYSA-N
XLogP3.86
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(dimethylamino)-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-ol
CID 79820116
4-methoxy-4-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-ol
CID 103027611
3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-amine
CID 105006692
4-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentane-2,3-diol
CID 103456577
3-methoxy-3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-ol
CID 79820192
3-ethyl-3-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine
CID 116760500
5-methoxy-4-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-ol
CID 105110995
1-cyclopentyl-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-ol
CID 115817937
N-ethyl-4-methylsulfanyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-amine
CID 105164419
N,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 81012409
N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine
CID 79819889
N-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62543018

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfanyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-ol?
The IUPAC name of 4-ethylsulfanyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-ol (CID 116504657) is 4-ethylsulfanyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-ol.
What is the SMILES notation for 4-ethylsulfanyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-ol?
The canonical SMILES for 4-ethylsulfanyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-ol is CCSCCC(O)Cc1nc(-c2ccccc2)cs1.
What is the InChIKey of 4-ethylsulfanyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-ol?
The InChIKey is KJWQALUNLCXZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS2/c1-2-18-9-8-13(17)10-15-16-14(11-19-15)12-6-4-3-5-7-12/h3-7,11,13,17H,2,8-10H2,1H3.
What are the key properties of 4-ethylsulfanyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-ol?
4-ethylsulfanyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-ol has a molecular weight of 293.46 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfanyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-ol is sourced from PubChem (CID 116504657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).