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

C8H8ClN5OS2 — CID 80692727

IUPAC[4-chloro-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1,3-thiazol-5-yl]methanol
SMILESOCc1sc(Sc2nnnn2C2CC2)nc1Cl
InChIInChI=1S/C8H8ClN5OS2/c9-6-5(3-15)16-8(10-6)17-7-11-12-13-14(7)4-1-2-4/h4,15H,1-3H2
InChIKeyDVBQWUBIPFAKDM-UHFFFAOYSA-N
MW289.77 g/mol
LogP1.76
Rot. Bonds4

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

[4-chloro-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1,3-thiazol-5-yl]methanol (PubChem CID 80692727) has the molecular formula C8H8ClN5OS2 and a molecular weight of 289.77 g/mol. Its IUPAC name is [4-chloro-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-chloro-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1,3-thiazol-5-yl]methanol
PubChem CID80692727
Molecular FormulaC8H8ClN5OS2
Molecular Weight289.77 g/mol
Exact Mass288.99
IUPAC Name[4-chloro-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1,3-thiazol-5-yl]methanol
SMILESOCc1sc(Sc2nnnn2C2CC2)nc1Cl
InChIInChI=1S/C8H8ClN5OS2/c9-6-5(3-15)16-8(10-6)17-7-11-12-13-14(7)4-1-2-4/h4,15H,1-3H2
InChIKeyDVBQWUBIPFAKDM-UHFFFAOYSA-N
XLogP1.76
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 4-chloro-2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1,3-thiazole-5-carboxylate
CID 133426526
[4-chloro-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazol-5-yl]methanol
CID 80692337
2-chloro-5-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-1,3,4-thiadiazole
CID 80606343
[4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-methylphenyl]methanol
CID 63814749
2-chloro-6-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)pyridine
CID 102716303
4-chloro-6-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-propylpyrimidine
CID 80945247
1-cyclopropyl-5-[(3,4-dichlorophenyl)methylsulfanyl]tetrazole
CID 47124307
(2-tert-butylsulfanyl-4-chloro-1,3-thiazol-5-yl)methanol
CID 80692827
8-[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-8-azabicyclo[3.2.1]octan-3-ol
CID 80693117
[6-(1-cyclopentyltetrazol-5-yl)sulfanyl-3-pyridinyl]methanol
CID 80651687
[4-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methanamine
CID 43528934
5-(2-bromoethylsulfanyl)-1-cyclopropyltetrazole
CID 43445926

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-chloro-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1,3-thiazol-5-yl]methanol (CID 80692727) is [4-chloro-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-chloro-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-chloro-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1,3-thiazol-5-yl]methanol is OCc1sc(Sc2nnnn2C2CC2)nc1Cl.
What is the InChIKey of [4-chloro-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1,3-thiazol-5-yl]methanol?
The InChIKey is DVBQWUBIPFAKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN5OS2/c9-6-5(3-15)16-8(10-6)17-7-11-12-13-14(7)4-1-2-4/h4,15H,1-3H2.
What are the key properties of [4-chloro-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1,3-thiazol-5-yl]methanol?
[4-chloro-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1,3-thiazol-5-yl]methanol has a molecular weight of 289.77 g/mol, XLogP of 1.76, 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-cyclopropyltetrazol-5-yl)sulfanyl-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 80692727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).