5-chloro-4-[(4-phenyl-1,3-thiazol-2-yl)sulfanylmethyl]thiadiazole

C12H8ClN3S3 — CID 33001886

IUPAC5-chloro-4-[(4-phenyl-1,3-thiazol-2-yl)sulfanylmethyl]thiadiazole
SMILESClc1snnc1CSc1nc(-c2ccccc2)cs1
InChIInChI=1S/C12H8ClN3S3/c13-11-10(15-16-19-11)7-18-12-14-9(6-17-12)8-4-2-1-3-5-8/h1-6H,7H2
InChIKeyWRLQZFRSNAPIRN-UHFFFAOYSA-N
MW325.87 g/mol
LogP4.61
Rot. Bonds4

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

5-chloro-4-[(4-phenyl-1,3-thiazol-2-yl)sulfanylmethyl]thiadiazole (PubChem CID 33001886) has the molecular formula C12H8ClN3S3 and a molecular weight of 325.87 g/mol. Its IUPAC name is 5-chloro-4-[(4-phenyl-1,3-thiazol-2-yl)sulfanylmethyl]thiadiazole.

Molecular Properties

Compound Name5-chloro-4-[(4-phenyl-1,3-thiazol-2-yl)sulfanylmethyl]thiadiazole
PubChem CID33001886
Molecular FormulaC12H8ClN3S3
Molecular Weight325.87 g/mol
Exact Mass324.96
IUPAC Name5-chloro-4-[(4-phenyl-1,3-thiazol-2-yl)sulfanylmethyl]thiadiazole
SMILESClc1snnc1CSc1nc(-c2ccccc2)cs1
InChIInChI=1S/C12H8ClN3S3/c13-11-10(15-16-19-11)7-18-12-14-9(6-17-12)8-4-2-1-3-5-8/h1-6H,7H2
InChIKeyWRLQZFRSNAPIRN-UHFFFAOYSA-N
XLogP4.61
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.87
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-phenyl-2-(pyridin-2-ylmethylsulfanyl)-1,3-thiazole
CID 71899247
1-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propan-2-amine;hydrochloride
CID 21478143
(2R)-1-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propan-2-amine;hydrochloride
CID 67771453
2-[(5-methylsulfonylfuran-2-yl)methylsulfanyl]-4-phenyl-1,3-thiazole
CID 166367974
5-chloro-4-[(4-methylphenyl)sulfanylmethyl]thiadiazole
CID 43407842
2-[(4-phenyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3-benzoxazole
CID 9484079
5-chloro-4-(quinazolin-4-ylsulfanylmethyl)thiadiazole
CID 29376689
5-[(5-chlorothiadiazol-4-yl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine
CID 51283678
2-[(5-chlorothiadiazol-4-yl)methylsulfanyl]-3-ethylquinazolin-4-one
CID 29386280
2-(4-bromophenyl)-5-[(4-phenyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 29351676
4-phenyl-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3-thiazole
CID 24618705
4-(4-chlorophenyl)-2-ethylsulfanyl-1,3-thiazole
CID 19194234

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(4-phenyl-1,3-thiazol-2-yl)sulfanylmethyl]thiadiazole?
The IUPAC name of 5-chloro-4-[(4-phenyl-1,3-thiazol-2-yl)sulfanylmethyl]thiadiazole (CID 33001886) is 5-chloro-4-[(4-phenyl-1,3-thiazol-2-yl)sulfanylmethyl]thiadiazole.
What is the SMILES notation for 5-chloro-4-[(4-phenyl-1,3-thiazol-2-yl)sulfanylmethyl]thiadiazole?
The canonical SMILES for 5-chloro-4-[(4-phenyl-1,3-thiazol-2-yl)sulfanylmethyl]thiadiazole is Clc1snnc1CSc1nc(-c2ccccc2)cs1.
What is the InChIKey of 5-chloro-4-[(4-phenyl-1,3-thiazol-2-yl)sulfanylmethyl]thiadiazole?
The InChIKey is WRLQZFRSNAPIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3S3/c13-11-10(15-16-19-11)7-18-12-14-9(6-17-12)8-4-2-1-3-5-8/h1-6H,7H2.
What are the key properties of 5-chloro-4-[(4-phenyl-1,3-thiazol-2-yl)sulfanylmethyl]thiadiazole?
5-chloro-4-[(4-phenyl-1,3-thiazol-2-yl)sulfanylmethyl]thiadiazole has a molecular weight of 325.87 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(4-phenyl-1,3-thiazol-2-yl)sulfanylmethyl]thiadiazole is sourced from PubChem (CID 33001886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).