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

C14H14ClNO2S — CID 82436608

IUPAC[2-[(3-chlorophenoxy)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanol
SMILESOCc1sc(COc2cccc(Cl)c2)nc1C1CC1
InChIInChI=1S/C14H14ClNO2S/c15-10-2-1-3-11(6-10)18-8-13-16-14(9-4-5-9)12(7-17)19-13/h1-3,6,9,17H,4-5,7-8H2
InChIKeyVAJNAOCHHQDSRF-UHFFFAOYSA-N
MW295.79 g/mol
LogP3.75
Rot. Bonds5

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

[2-[(3-chlorophenoxy)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanol (PubChem CID 82436608) has the molecular formula C14H14ClNO2S and a molecular weight of 295.79 g/mol. Its IUPAC name is [2-[(3-chlorophenoxy)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-[(3-chlorophenoxy)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanol
PubChem CID82436608
Molecular FormulaC14H14ClNO2S
Molecular Weight295.79 g/mol
Exact Mass295.04
IUPAC Name[2-[(3-chlorophenoxy)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanol
SMILESOCc1sc(COc2cccc(Cl)c2)nc1C1CC1
InChIInChI=1S/C14H14ClNO2S/c15-10-2-1-3-11(6-10)18-8-13-16-14(9-4-5-9)12(7-17)19-13/h1-3,6,9,17H,4-5,7-8H2
InChIKeyVAJNAOCHHQDSRF-UHFFFAOYSA-N
XLogP3.75
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.79
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(3-chlorophenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]methanol
CID 82431984
[4-cyclopropyl-2-[(3-ethylphenoxy)methyl]-1,3-thiazol-5-yl]methanamine
CID 82436502
[2-[(3-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methanamine
CID 82134233
1-[4-cyclopropyl-2-(phenoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82436409
1-[4-cyclopropyl-2-[(3-ethylphenoxy)methyl]-1,3-thiazol-5-yl]ethanone
CID 82436503
5-[(3-chlorophenoxy)methyl]-3-cyclopropyl-1H-1,2,4-triazole
CID 62228354
2-[2-[(3-chlorophenoxy)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]acetonitrile
CID 82434282
4-cyclopropyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide
CID 82436456
N-[[2-[(3-chlorophenoxy)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82423081
4-[2-[(3-chlorophenoxy)methyl]thiophen-3-yl]piperidine
CID 53390786
2-[2-[(3-chlorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]acetonitrile
CID 82436288
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-cyclopropyl-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-[(3-chlorophenoxy)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanol (CID 82436608) is [2-[(3-chlorophenoxy)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-[(3-chlorophenoxy)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-[(3-chlorophenoxy)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanol is OCc1sc(COc2cccc(Cl)c2)nc1C1CC1.
What is the InChIKey of [2-[(3-chlorophenoxy)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanol?
The InChIKey is VAJNAOCHHQDSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2S/c15-10-2-1-3-11(6-10)18-8-13-16-14(9-4-5-9)12(7-17)19-13/h1-3,6,9,17H,4-5,7-8H2.
What are the key properties of [2-[(3-chlorophenoxy)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanol?
[2-[(3-chlorophenoxy)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanol has a molecular weight of 295.79 g/mol, XLogP of 3.75, 5 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-cyclopropyl-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 82436608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).