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

C8H9ClN4OS3 — CID 80693255

IUPAC[4-chloro-2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,3-thiazol-5-yl]methanol
SMILESCN(C)c1nnc(Sc2nc(Cl)c(CO)s2)s1
InChIInChI=1S/C8H9ClN4OS3/c1-13(2)6-11-12-8(16-6)17-7-10-5(9)4(3-14)15-7/h14H,3H2,1-2H3
InChIKeyXZBSEKYBDGPSKP-UHFFFAOYSA-N
MW308.84 g/mol
LogP2.36
Rot. Bonds4

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

[4-chloro-2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,3-thiazol-5-yl]methanol (PubChem CID 80693255) has the molecular formula C8H9ClN4OS3 and a molecular weight of 308.84 g/mol. Its IUPAC name is [4-chloro-2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-chloro-2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,3-thiazol-5-yl]methanol
PubChem CID80693255
Molecular FormulaC8H9ClN4OS3
Molecular Weight308.84 g/mol
Exact Mass307.96
IUPAC Name[4-chloro-2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,3-thiazol-5-yl]methanol
SMILESCN(C)c1nnc(Sc2nc(Cl)c(CO)s2)s1
InChIInChI=1S/C8H9ClN4OS3/c1-13(2)6-11-12-8(16-6)17-7-10-5(9)4(3-14)15-7/h14H,3H2,1-2H3
InChIKeyXZBSEKYBDGPSKP-UHFFFAOYSA-N
XLogP2.36
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.84
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [4-chloro-2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,3-thiazol-5-yl]methanol with MolForge

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Related Compounds

[4-Chloro-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazol-5-yl]methanol
CID 80692337
[4-Chloro-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazol-5-yl]methanol
CID 80692630
[4-Chloro-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1,3-thiazol-5-yl]methanol
CID 80692727
[4-Chloro-2-(1-methyltetrazol-5-yl)sulfanyl-1,3-thiazol-5-yl]methanol
CID 80693137
[4-Chloro-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazol-5-yl]methanol
CID 104604400

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-chloro-2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,3-thiazol-5-yl]methanol (CID 80693255) is [4-chloro-2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-chloro-2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-chloro-2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,3-thiazol-5-yl]methanol is CN(C)c1nnc(Sc2nc(Cl)c(CO)s2)s1.
What is the InChIKey of [4-chloro-2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,3-thiazol-5-yl]methanol?
The InChIKey is XZBSEKYBDGPSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN4OS3/c1-13(2)6-11-12-8(16-6)17-7-10-5(9)4(3-14)15-7/h14H,3H2,1-2H3.
What are the key properties of [4-chloro-2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,3-thiazol-5-yl]methanol?
[4-chloro-2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,3-thiazol-5-yl]methanol has a molecular weight of 308.84 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 80693255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).