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

C14H14ClNOS — CID 82436119

IUPAC[2-[(4-chlorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanol
SMILESOCc1sc(Cc2ccc(Cl)cc2)nc1C1CC1
InChIInChI=1S/C14H14ClNOS/c15-11-5-1-9(2-6-11)7-13-16-14(10-3-4-10)12(8-17)18-13/h1-2,5-6,10,17H,3-4,7-8H2
InChIKeyBJTXBYRDJMBHNR-UHFFFAOYSA-N
MW279.79 g/mol
LogP3.76
Rot. Bonds4

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

[2-[(4-chlorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanol (PubChem CID 82436119) has the molecular formula C14H14ClNOS and a molecular weight of 279.79 g/mol. Its IUPAC name is [2-[(4-chlorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-[(4-chlorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanol
PubChem CID82436119
Molecular FormulaC14H14ClNOS
Molecular Weight279.79 g/mol
Exact Mass279.05
IUPAC Name[2-[(4-chlorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanol
SMILESOCc1sc(Cc2ccc(Cl)cc2)nc1C1CC1
InChIInChI=1S/C14H14ClNOS/c15-11-5-1-9(2-6-11)7-13-16-14(10-3-4-10)12(8-17)18-13/h1-2,5-6,10,17H,3-4,7-8H2
InChIKeyBJTXBYRDJMBHNR-UHFFFAOYSA-N
XLogP3.76
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.79
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-chlorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-[(4-chlorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanol (CID 82436119) is [2-[(4-chlorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-[(4-chlorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-[(4-chlorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanol is OCc1sc(Cc2ccc(Cl)cc2)nc1C1CC1.
What is the InChIKey of [2-[(4-chlorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanol?
The InChIKey is BJTXBYRDJMBHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNOS/c15-11-5-1-9(2-6-11)7-13-16-14(10-3-4-10)12(8-17)18-13/h1-2,5-6,10,17H,3-4,7-8H2.
What are the key properties of [2-[(4-chlorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanol?
[2-[(4-chlorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanol has a molecular weight of 279.79 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-chlorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 82436119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).