2-[(5-chloro-1,3-thiazol-2-yl)sulfanyl]-5-thiophen-2-yl-1,3,4-thiadiazole

C9H4ClN3S4 — CID 18708051

IUPAC2-[(5-chloro-1,3-thiazol-2-yl)sulfanyl]-5-thiophen-2-yl-1,3,4-thiadiazole
SMILESClc1cnc(Sc2nnc(-c3cccs3)s2)s1
InChIInChI=1S/C9H4ClN3S4/c10-6-4-11-8(15-6)17-9-13-12-7(16-9)5-2-1-3-14-5/h1-4H
InChIKeyZAUQAIQITKHFDQ-UHFFFAOYSA-N
MW317.87 g/mol
LogP4.53
Rot. Bonds3

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

2-[(5-chloro-1,3-thiazol-2-yl)sulfanyl]-5-thiophen-2-yl-1,3,4-thiadiazole (PubChem CID 18708051) has the molecular formula C9H4ClN3S4 and a molecular weight of 317.87 g/mol. Its IUPAC name is 2-[(5-chloro-1,3-thiazol-2-yl)sulfanyl]-5-thiophen-2-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[(5-chloro-1,3-thiazol-2-yl)sulfanyl]-5-thiophen-2-yl-1,3,4-thiadiazole
PubChem CID18708051
Molecular FormulaC9H4ClN3S4
Molecular Weight317.87 g/mol
Exact Mass316.90
IUPAC Name2-[(5-chloro-1,3-thiazol-2-yl)sulfanyl]-5-thiophen-2-yl-1,3,4-thiadiazole
SMILESClc1cnc(Sc2nnc(-c3cccs3)s2)s1
InChIInChI=1S/C9H4ClN3S4/c10-6-4-11-8(15-6)17-9-13-12-7(16-9)5-2-1-3-14-5/h1-4H
InChIKeyZAUQAIQITKHFDQ-UHFFFAOYSA-N
XLogP4.53
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.87
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-thiophen-2-yl-1,3,4-thiadiazole
CID 14091186
4-[3-[(5-chloro-1,3-thiazol-2-yl)sulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]-N,N-dimethylaniline
CID 18708188
5-chloro-2-[[4-(2-phenylethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1,3-thiazole;2-[[4-(2-phenylethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1,3-thiazole
CID 67673353
N-propyl-5-(2-thiophen-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82424489
2-(1-benzyltetrazol-5-yl)sulfanyl-5-chloro-1,3-thiazole
CID 18707764
2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 130667272
2-chloro-5-thiophen-2-ylpyrazine
CID 16740536
ethane;2-(4-methoxyphenyl)-5-thiophen-2-yl-1,3,4-thiadiazole
CID 177007601
2-[(5-tert-butyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-5-chloro-1,3-thiazole
CID 18708381
N-(6-chloro-5-nitropyrimidin-4-yl)-5-thiophen-2-yl-1,3,4-thiadiazol-2-amine
CID 108777796
N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide
CID 108783410
N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 1080987

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-1,3-thiazol-2-yl)sulfanyl]-5-thiophen-2-yl-1,3,4-thiadiazole?
The IUPAC name of 2-[(5-chloro-1,3-thiazol-2-yl)sulfanyl]-5-thiophen-2-yl-1,3,4-thiadiazole (CID 18708051) is 2-[(5-chloro-1,3-thiazol-2-yl)sulfanyl]-5-thiophen-2-yl-1,3,4-thiadiazole.
What is the SMILES notation for 2-[(5-chloro-1,3-thiazol-2-yl)sulfanyl]-5-thiophen-2-yl-1,3,4-thiadiazole?
The canonical SMILES for 2-[(5-chloro-1,3-thiazol-2-yl)sulfanyl]-5-thiophen-2-yl-1,3,4-thiadiazole is Clc1cnc(Sc2nnc(-c3cccs3)s2)s1.
What is the InChIKey of 2-[(5-chloro-1,3-thiazol-2-yl)sulfanyl]-5-thiophen-2-yl-1,3,4-thiadiazole?
The InChIKey is ZAUQAIQITKHFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClN3S4/c10-6-4-11-8(15-6)17-9-13-12-7(16-9)5-2-1-3-14-5/h1-4H.
What are the key properties of 2-[(5-chloro-1,3-thiazol-2-yl)sulfanyl]-5-thiophen-2-yl-1,3,4-thiadiazole?
2-[(5-chloro-1,3-thiazol-2-yl)sulfanyl]-5-thiophen-2-yl-1,3,4-thiadiazole has a molecular weight of 317.87 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-1,3-thiazol-2-yl)sulfanyl]-5-thiophen-2-yl-1,3,4-thiadiazole is sourced from PubChem (CID 18708051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).