[2-[(3-chlorophenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]methanol

C14H16ClNO2S — CID 82431984

IUPAC[2-[(3-chlorophenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]methanol
SMILESCCCc1nc(COc2cccc(Cl)c2)sc1CO
InChIInChI=1S/C14H16ClNO2S/c1-2-4-12-13(8-17)19-14(16-12)9-18-11-6-3-5-10(15)7-11/h3,5-7,17H,2,4,8-9H2,1H3
InChIKeyQBCUGNOKASWXMC-UHFFFAOYSA-N
MW297.81 g/mol
LogP3.82
Rot. Bonds6

About [2-[(3-chlorophenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]methanol

[2-[(3-chlorophenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]methanol (PubChem CID 82431984) has the molecular formula C14H16ClNO2S and a molecular weight of 297.81 g/mol. Its IUPAC name is [2-[(3-chlorophenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-[(3-chlorophenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]methanol
PubChem CID82431984
Molecular FormulaC14H16ClNO2S
Molecular Weight297.81 g/mol
Exact Mass297.06
IUPAC Name[2-[(3-chlorophenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]methanol
SMILESCCCc1nc(COc2cccc(Cl)c2)sc1CO
InChIInChI=1S/C14H16ClNO2S/c1-2-4-12-13(8-17)19-14(16-12)9-18-11-6-3-5-10(15)7-11/h3,5-7,17H,2,4,8-9H2,1H3
InChIKeyQBCUGNOKASWXMC-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

Analyze [2-[(3-chlorophenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]methanol with MolForge

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Related Compounds

[2-[(3-chlorophenoxy)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanol
CID 82436608
[2-[(2,6-dimethylphenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]methanol
CID 82431915
[4-(methoxymethyl)-2-[(3-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanol
CID 82440408
[2-[(3-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methanamine
CID 82134233
N-[[2-[(3-chlorophenoxy)methyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 82190975
[2-[2-(3,4-dimethylphenoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]methanol
CID 82432524
2-[2-[(3-chlorophenoxy)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]acetonitrile
CID 82434282
N-[[2-[(4-methylphenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82431840
[4-(methoxymethyl)-2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanol
CID 82440580
[2-(2,4-dichlorophenyl)-4-propyl-1,3-thiazol-5-yl]methanol
CID 82432702
[4-tert-butyl-2-[(3-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanol
CID 82438695
2-[(3-chlorophenoxy)methyl]-4-propan-2-yl-1,3-thiazole-5-carbonitrile
CID 82434280

Frequently Asked Questions

What is the IUPAC name of [2-[(3-chlorophenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-[(3-chlorophenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]methanol (CID 82431984) is [2-[(3-chlorophenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-[(3-chlorophenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-[(3-chlorophenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]methanol is CCCc1nc(COc2cccc(Cl)c2)sc1CO.
What is the InChIKey of [2-[(3-chlorophenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]methanol?
The InChIKey is QBCUGNOKASWXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2S/c1-2-4-12-13(8-17)19-14(16-12)9-18-11-6-3-5-10(15)7-11/h3,5-7,17H,2,4,8-9H2,1H3.
What are the key properties of [2-[(3-chlorophenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]methanol?
[2-[(3-chlorophenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]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 [2-[(3-chlorophenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 82431984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).