[5-chloro-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol

C14H16ClNO2S — CID 61487303

IUPAC[5-chloro-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
SMILESCCCc1nc(COc2ccc(Cl)cc2CO)cs1
InChIInChI=1S/C14H16ClNO2S/c1-2-3-14-16-12(9-19-14)8-18-13-5-4-11(15)6-10(13)7-17/h4-6,9,17H,2-3,7-8H2,1H3
InChIKeyVANVAWNNNDROEI-UHFFFAOYSA-N
MW297.81 g/mol
LogP3.82
Rot. Bonds6

About [5-chloro-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol

[5-chloro-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol (PubChem CID 61487303) has the molecular formula C14H16ClNO2S and a molecular weight of 297.81 g/mol. Its IUPAC name is [5-chloro-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol.

Molecular Properties

Compound Name[5-chloro-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
PubChem CID61487303
Molecular FormulaC14H16ClNO2S
Molecular Weight297.81 g/mol
Exact Mass297.06
IUPAC Name[5-chloro-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
SMILESCCCc1nc(COc2ccc(Cl)cc2CO)cs1
InChIInChI=1S/C14H16ClNO2S/c1-2-3-14-16-12(9-19-14)8-18-13-5-4-11(15)6-10(13)7-17/h4-6,9,17H,2-3,7-8H2,1H3
InChIKeyVANVAWNNNDROEI-UHFFFAOYSA-N
XLogP3.82
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.81
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-methoxy-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
CID 61487344
[5-nitro-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
CID 61487346
(1R)-1-[5-chloro-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
CID 63366752
N-[[5-chloro-2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-2-amine
CID 61484700
[3-methoxy-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
CID 61487345
[3-ethoxy-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
CID 61487304
N-[[3-fluoro-4-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]ethanamine
CID 107687012
2-[5-chloro-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
CID 54931526
[2-[[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methoxy]phenyl]methanol
CID 78880755
1-[5-methoxy-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 61487623
1-[3,5-dichloro-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 61487461
[6-methyl-3-[(2-propyl-1,3-thiazol-4-yl)methoxy]-2-pyridinyl]methanamine
CID 79150632

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol?
The IUPAC name of [5-chloro-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol (CID 61487303) is [5-chloro-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol.
What is the SMILES notation for [5-chloro-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol?
The canonical SMILES for [5-chloro-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol is CCCc1nc(COc2ccc(Cl)cc2CO)cs1.
What is the InChIKey of [5-chloro-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol?
The InChIKey is VANVAWNNNDROEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2S/c1-2-3-14-16-12(9-19-14)8-18-13-5-4-11(15)6-10(13)7-17/h4-6,9,17H,2-3,7-8H2,1H3.
What are the key properties of [5-chloro-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol?
[5-chloro-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol has a molecular weight of 297.81 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol is sourced from PubChem (CID 61487303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).