2-methylsulfanyl-5-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazole

C10H13N3S4 — CID 47148329

IUPAC2-methylsulfanyl-5-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazole
SMILESCCCc1nc(CSc2nnc(SC)s2)cs1
InChIInChI=1S/C10H13N3S4/c1-3-4-8-11-7(5-15-8)6-16-10-13-12-9(14-2)17-10/h5H,3-4,6H2,1-2H3
InChIKeyIHUHJWYSINLNJY-UHFFFAOYSA-N
MW303.50 g/mol
LogP3.96
Rot. Bonds6

About 2-methylsulfanyl-5-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazole

2-methylsulfanyl-5-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazole (PubChem CID 47148329) has the molecular formula C10H13N3S4 and a molecular weight of 303.50 g/mol. Its IUPAC name is 2-methylsulfanyl-5-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-methylsulfanyl-5-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazole
PubChem CID47148329
Molecular FormulaC10H13N3S4
Molecular Weight303.50 g/mol
Exact Mass303.00
IUPAC Name2-methylsulfanyl-5-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazole
SMILESCCCc1nc(CSc2nnc(SC)s2)cs1
InChIInChI=1S/C10H13N3S4/c1-3-4-8-11-7(5-15-8)6-16-10-13-12-9(14-2)17-10/h5H,3-4,6H2,1-2H3
InChIKeyIHUHJWYSINLNJY-UHFFFAOYSA-N
XLogP3.96
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.50
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-5-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazole?
The IUPAC name of 2-methylsulfanyl-5-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazole (CID 47148329) is 2-methylsulfanyl-5-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-methylsulfanyl-5-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-methylsulfanyl-5-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazole is CCCc1nc(CSc2nnc(SC)s2)cs1.
What is the InChIKey of 2-methylsulfanyl-5-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazole?
The InChIKey is IHUHJWYSINLNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S4/c1-3-4-8-11-7(5-15-8)6-16-10-13-12-9(14-2)17-10/h5H,3-4,6H2,1-2H3.
What are the key properties of 2-methylsulfanyl-5-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazole?
2-methylsulfanyl-5-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazole has a molecular weight of 303.50 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-5-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazole is sourced from PubChem (CID 47148329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).