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

C8H8ClN3OS3 — CID 80692440

IUPAC[4-chloro-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3-thiazol-5-yl]methanol
SMILESCCc1nsc(Sc2nc(Cl)c(CO)s2)n1
InChIInChI=1S/C8H8ClN3OS3/c1-2-5-10-8(16-12-5)15-7-11-6(9)4(3-13)14-7/h13H,2-3H2,1H3
InChIKeyUMNVNAQQDGAVCC-UHFFFAOYSA-N
MW293.83 g/mol
LogP2.85
Rot. Bonds4

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

[4-chloro-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3-thiazol-5-yl]methanol (PubChem CID 80692440) has the molecular formula C8H8ClN3OS3 and a molecular weight of 293.83 g/mol. Its IUPAC name is [4-chloro-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-chloro-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3-thiazol-5-yl]methanol
PubChem CID80692440
Molecular FormulaC8H8ClN3OS3
Molecular Weight293.83 g/mol
Exact Mass292.95
IUPAC Name[4-chloro-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3-thiazol-5-yl]methanol
SMILESCCc1nsc(Sc2nc(Cl)c(CO)s2)n1
InChIInChI=1S/C8H8ClN3OS3/c1-2-5-10-8(16-12-5)15-7-11-6(9)4(3-13)14-7/h13H,2-3H2,1H3
InChIKeyUMNVNAQQDGAVCC-UHFFFAOYSA-N
XLogP2.85
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.83
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-chloro-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3-thiazol-5-yl]methanol (CID 80692440) is [4-chloro-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-chloro-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-chloro-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3-thiazol-5-yl]methanol is CCc1nsc(Sc2nc(Cl)c(CO)s2)n1.
What is the InChIKey of [4-chloro-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3-thiazol-5-yl]methanol?
The InChIKey is UMNVNAQQDGAVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3OS3/c1-2-5-10-8(16-12-5)15-7-11-6(9)4(3-13)14-7/h13H,2-3H2,1H3.
What are the key properties of [4-chloro-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3-thiazol-5-yl]methanol?
[4-chloro-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3-thiazol-5-yl]methanol has a molecular weight of 293.83 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 80692440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).