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

C12H12ClNOS2 — CID 110007069

IUPAC[4-[(2-chloro-1,3-thiazol-5-yl)methylsulfanylmethyl]phenyl]methanol
SMILESOCc1ccc(CSCc2cnc(Cl)s2)cc1
InChIInChI=1S/C12H12ClNOS2/c13-12-14-5-11(17-12)8-16-7-10-3-1-9(6-15)2-4-10/h1-5,15H,6-8H2
InChIKeyNTEVIDWVDMAJPE-UHFFFAOYSA-N
MW285.82 g/mol
LogP3.72
Rot. Bonds5

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

[4-[(2-chloro-1,3-thiazol-5-yl)methylsulfanylmethyl]phenyl]methanol (PubChem CID 110007069) has the molecular formula C12H12ClNOS2 and a molecular weight of 285.82 g/mol. Its IUPAC name is [4-[(2-chloro-1,3-thiazol-5-yl)methylsulfanylmethyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[(2-chloro-1,3-thiazol-5-yl)methylsulfanylmethyl]phenyl]methanol
PubChem CID110007069
Molecular FormulaC12H12ClNOS2
Molecular Weight285.82 g/mol
Exact Mass285.00
IUPAC Name[4-[(2-chloro-1,3-thiazol-5-yl)methylsulfanylmethyl]phenyl]methanol
SMILESOCc1ccc(CSCc2cnc(Cl)s2)cc1
InChIInChI=1S/C12H12ClNOS2/c13-12-14-5-11(17-12)8-16-7-10-3-1-9(6-15)2-4-10/h1-5,15H,6-8H2
InChIKeyNTEVIDWVDMAJPE-UHFFFAOYSA-N
XLogP3.72
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[(2-chloro-1,3-thiazol-5-yl)methylsulfanylmethyl]phenyl]methanol?
The IUPAC name of [4-[(2-chloro-1,3-thiazol-5-yl)methylsulfanylmethyl]phenyl]methanol (CID 110007069) is [4-[(2-chloro-1,3-thiazol-5-yl)methylsulfanylmethyl]phenyl]methanol.
What is the SMILES notation for [4-[(2-chloro-1,3-thiazol-5-yl)methylsulfanylmethyl]phenyl]methanol?
The canonical SMILES for [4-[(2-chloro-1,3-thiazol-5-yl)methylsulfanylmethyl]phenyl]methanol is OCc1ccc(CSCc2cnc(Cl)s2)cc1.
What is the InChIKey of [4-[(2-chloro-1,3-thiazol-5-yl)methylsulfanylmethyl]phenyl]methanol?
The InChIKey is NTEVIDWVDMAJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNOS2/c13-12-14-5-11(17-12)8-16-7-10-3-1-9(6-15)2-4-10/h1-5,15H,6-8H2.
What are the key properties of [4-[(2-chloro-1,3-thiazol-5-yl)methylsulfanylmethyl]phenyl]methanol?
[4-[(2-chloro-1,3-thiazol-5-yl)methylsulfanylmethyl]phenyl]methanol has a molecular weight of 285.82 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-chloro-1,3-thiazol-5-yl)methylsulfanylmethyl]phenyl]methanol is sourced from PubChem (CID 110007069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).