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

C11H8ClN5OS2 — CID 80693032

IUPAC[4-chloro-2-(1-phenyltetrazol-5-yl)sulfanyl-1,3-thiazol-5-yl]methanol
SMILESOCc1sc(Sc2nnnn2-c2ccccc2)nc1Cl
InChIInChI=1S/C11H8ClN5OS2/c12-9-8(6-18)19-11(13-9)20-10-14-15-16-17(10)7-4-2-1-3-5-7/h1-5,18H,6H2
InChIKeySOJXUXYJMGKPKE-UHFFFAOYSA-N
MW325.81 g/mol
LogP2.42
Rot. Bonds4

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

[4-chloro-2-(1-phenyltetrazol-5-yl)sulfanyl-1,3-thiazol-5-yl]methanol (PubChem CID 80693032) has the molecular formula C11H8ClN5OS2 and a molecular weight of 325.81 g/mol. Its IUPAC name is [4-chloro-2-(1-phenyltetrazol-5-yl)sulfanyl-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-chloro-2-(1-phenyltetrazol-5-yl)sulfanyl-1,3-thiazol-5-yl]methanol
PubChem CID80693032
Molecular FormulaC11H8ClN5OS2
Molecular Weight325.81 g/mol
Exact Mass324.99
IUPAC Name[4-chloro-2-(1-phenyltetrazol-5-yl)sulfanyl-1,3-thiazol-5-yl]methanol
SMILESOCc1sc(Sc2nnnn2-c2ccccc2)nc1Cl
InChIInChI=1S/C11H8ClN5OS2/c12-9-8(6-18)19-11(13-9)20-10-14-15-16-17(10)7-4-2-1-3-5-7/h1-5,18H,6H2
InChIKeySOJXUXYJMGKPKE-UHFFFAOYSA-N
XLogP2.42
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.81
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[4-chloro-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1,3-thiazol-5-yl]methanol
CID 80692727
4-methyl-2-(1-phenyltetrazol-5-yl)sulfanyl-1,3-thiazole
CID 18708988
2-(1-phenyltetrazol-5-yl)sulfanyl-5-propylsulfanyl-1,3,4-thiadiazole
CID 2536033
[5-(1-phenyltetrazol-5-yl)sulfanyl-1,2-oxazol-3-yl]methanol
CID 11414680
4-[5-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]tetrazol-1-yl]benzoic acid
CID 18708609
5-[(5-chlorothiophen-2-yl)methylsulfanyl]-1-phenyltetrazole
CID 51140263
2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-4-phenyl-1,3-thiazole
CID 18778747
1-(4-methylphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole
CID 9110390
2-[1-(4-phenoxyphenyl)tetrazol-5-yl]sulfanyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 18778669
S-(1-phenyltetrazol-5-yl)thiohydroxylamine
CID 170760951
4-(1-phenyltetrazol-5-yl)sulfanylbut-2-yn-1-ol
CID 15944365
2-methyl-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole
CID 972372

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-(1-phenyltetrazol-5-yl)sulfanyl-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-chloro-2-(1-phenyltetrazol-5-yl)sulfanyl-1,3-thiazol-5-yl]methanol (CID 80693032) is [4-chloro-2-(1-phenyltetrazol-5-yl)sulfanyl-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-chloro-2-(1-phenyltetrazol-5-yl)sulfanyl-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-chloro-2-(1-phenyltetrazol-5-yl)sulfanyl-1,3-thiazol-5-yl]methanol is OCc1sc(Sc2nnnn2-c2ccccc2)nc1Cl.
What is the InChIKey of [4-chloro-2-(1-phenyltetrazol-5-yl)sulfanyl-1,3-thiazol-5-yl]methanol?
The InChIKey is SOJXUXYJMGKPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN5OS2/c12-9-8(6-18)19-11(13-9)20-10-14-15-16-17(10)7-4-2-1-3-5-7/h1-5,18H,6H2.
What are the key properties of [4-chloro-2-(1-phenyltetrazol-5-yl)sulfanyl-1,3-thiazol-5-yl]methanol?
[4-chloro-2-(1-phenyltetrazol-5-yl)sulfanyl-1,3-thiazol-5-yl]methanol has a molecular weight of 325.81 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-(1-phenyltetrazol-5-yl)sulfanyl-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 80693032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).