5-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine

C8H9ClN4S3 — CID 119042413

IUPAC5-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(SCc2cnc(Cl)s2)s1
InChIInChI=1S/C8H9ClN4S3/c1-2-10-7-12-13-8(16-7)14-4-5-3-11-6(9)15-5/h3H,2,4H2,1H3,(H,10,12)
InChIKeyDCCRPHGFIVJALB-UHFFFAOYSA-N
MW292.84 g/mol
LogP3.37
Rot. Bonds5

About 5-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine

5-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine (PubChem CID 119042413) has the molecular formula C8H9ClN4S3 and a molecular weight of 292.84 g/mol. Its IUPAC name is 5-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine
PubChem CID119042413
Molecular FormulaC8H9ClN4S3
Molecular Weight292.84 g/mol
Exact Mass291.97
IUPAC Name5-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(SCc2cnc(Cl)s2)s1
InChIInChI=1S/C8H9ClN4S3/c1-2-10-7-12-13-8(16-7)14-4-5-3-11-6(9)15-5/h3H,2,4H2,1H3,(H,10,12)
InChIKeyDCCRPHGFIVJALB-UHFFFAOYSA-N
XLogP3.37
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.84
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine (CID 119042413) is 5-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine is CCNc1nnc(SCc2cnc(Cl)s2)s1.
What is the InChIKey of 5-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is DCCRPHGFIVJALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN4S3/c1-2-10-7-12-13-8(16-7)14-4-5-3-11-6(9)15-5/h3H,2,4H2,1H3,(H,10,12).
What are the key properties of 5-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine?
5-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 292.84 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 119042413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).