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

C11H15N3S4 — CID 47158805

IUPAC2-ethylsulfanyl-5-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazole
SMILESCCCc1nc(CSc2nnc(SCC)s2)cs1
InChIInChI=1S/C11H15N3S4/c1-3-5-9-12-8(6-16-9)7-17-11-14-13-10(18-11)15-4-2/h6H,3-5,7H2,1-2H3
InChIKeyDHTMQXQQGFSZTL-UHFFFAOYSA-N
MW317.53 g/mol
LogP4.35
Rot. Bonds7

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

2-ethylsulfanyl-5-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazole (PubChem CID 47158805) has the molecular formula C11H15N3S4 and a molecular weight of 317.53 g/mol. Its IUPAC name is 2-ethylsulfanyl-5-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-ethylsulfanyl-5-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazole
PubChem CID47158805
Molecular FormulaC11H15N3S4
Molecular Weight317.53 g/mol
Exact Mass317.01
IUPAC Name2-ethylsulfanyl-5-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazole
SMILESCCCc1nc(CSc2nnc(SCC)s2)cs1
InChIInChI=1S/C11H15N3S4/c1-3-5-9-12-8(6-16-9)7-17-11-14-13-10(18-11)15-4-2/h6H,3-5,7H2,1-2H3
InChIKeyDHTMQXQQGFSZTL-UHFFFAOYSA-N
XLogP4.35
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.53
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-5-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazole?
The IUPAC name of 2-ethylsulfanyl-5-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazole (CID 47158805) is 2-ethylsulfanyl-5-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-ethylsulfanyl-5-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-ethylsulfanyl-5-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazole is CCCc1nc(CSc2nnc(SCC)s2)cs1.
What is the InChIKey of 2-ethylsulfanyl-5-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazole?
The InChIKey is DHTMQXQQGFSZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S4/c1-3-5-9-12-8(6-16-9)7-17-11-14-13-10(18-11)15-4-2/h6H,3-5,7H2,1-2H3.
What are the key properties of 2-ethylsulfanyl-5-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazole?
2-ethylsulfanyl-5-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazole has a molecular weight of 317.53 g/mol, XLogP of 4.35, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-5-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazole is sourced from PubChem (CID 47158805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).