[4-chloro-2-(1-methyltetrazol-5-yl)sulfanyl-1,3-thiazol-5-yl]methanol

C6H6ClN5OS2 — CID 80693137

IUPAC[4-chloro-2-(1-methyltetrazol-5-yl)sulfanyl-1,3-thiazol-5-yl]methanol
SMILESCn1nnnc1Sc1nc(Cl)c(CO)s1
InChIInChI=1S/C6H6ClN5OS2/c1-12-5(9-10-11-12)15-6-8-4(7)3(2-13)14-6/h13H,2H2,1H3
InChIKeyVXJMPXAWDFLSKT-UHFFFAOYSA-N
MW263.74 g/mol
LogP0.96
Rot. Bonds3

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

[4-chloro-2-(1-methyltetrazol-5-yl)sulfanyl-1,3-thiazol-5-yl]methanol (PubChem CID 80693137) has the molecular formula C6H6ClN5OS2 and a molecular weight of 263.74 g/mol. Its IUPAC name is [4-chloro-2-(1-methyltetrazol-5-yl)sulfanyl-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-chloro-2-(1-methyltetrazol-5-yl)sulfanyl-1,3-thiazol-5-yl]methanol
PubChem CID80693137
Molecular FormulaC6H6ClN5OS2
Molecular Weight263.74 g/mol
Exact Mass262.97
IUPAC Name[4-chloro-2-(1-methyltetrazol-5-yl)sulfanyl-1,3-thiazol-5-yl]methanol
SMILESCn1nnnc1Sc1nc(Cl)c(CO)s1
InChIInChI=1S/C6H6ClN5OS2/c1-12-5(9-10-11-12)15-6-8-4(7)3(2-13)14-6/h13H,2H2,1H3
InChIKeyVXJMPXAWDFLSKT-UHFFFAOYSA-N
XLogP0.96
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.74
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-(1-methyltetrazol-5-yl)sulfanyl-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-chloro-2-(1-methyltetrazol-5-yl)sulfanyl-1,3-thiazol-5-yl]methanol (CID 80693137) is [4-chloro-2-(1-methyltetrazol-5-yl)sulfanyl-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-chloro-2-(1-methyltetrazol-5-yl)sulfanyl-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-chloro-2-(1-methyltetrazol-5-yl)sulfanyl-1,3-thiazol-5-yl]methanol is Cn1nnnc1Sc1nc(Cl)c(CO)s1.
What is the InChIKey of [4-chloro-2-(1-methyltetrazol-5-yl)sulfanyl-1,3-thiazol-5-yl]methanol?
The InChIKey is VXJMPXAWDFLSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClN5OS2/c1-12-5(9-10-11-12)15-6-8-4(7)3(2-13)14-6/h13H,2H2,1H3.
What are the key properties of [4-chloro-2-(1-methyltetrazol-5-yl)sulfanyl-1,3-thiazol-5-yl]methanol?
[4-chloro-2-(1-methyltetrazol-5-yl)sulfanyl-1,3-thiazol-5-yl]methanol has a molecular weight of 263.74 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-(1-methyltetrazol-5-yl)sulfanyl-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 80693137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).