5-[2-(ethylsulfanylmethyl)-1,3-thiazol-5-yl]-N-propyl-1,3,4-thiadiazol-2-amine

C11H16N4S3 — CID 82423311

IUPAC5-[2-(ethylsulfanylmethyl)-1,3-thiazol-5-yl]-N-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(-c2cnc(CSCC)s2)s1
InChIInChI=1S/C11H16N4S3/c1-3-5-12-11-15-14-10(18-11)8-6-13-9(17-8)7-16-4-2/h6H,3-5,7H2,1-2H3,(H,12,15)
InChIKeyVQWUCEDPIQNXGN-UHFFFAOYSA-N
MW300.48 g/mol
LogP3.74
Rot. Bonds7

About 5-[2-(ethylsulfanylmethyl)-1,3-thiazol-5-yl]-N-propyl-1,3,4-thiadiazol-2-amine

5-[2-(ethylsulfanylmethyl)-1,3-thiazol-5-yl]-N-propyl-1,3,4-thiadiazol-2-amine (PubChem CID 82423311) has the molecular formula C11H16N4S3 and a molecular weight of 300.48 g/mol. Its IUPAC name is 5-[2-(ethylsulfanylmethyl)-1,3-thiazol-5-yl]-N-propyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[2-(ethylsulfanylmethyl)-1,3-thiazol-5-yl]-N-propyl-1,3,4-thiadiazol-2-amine
PubChem CID82423311
Molecular FormulaC11H16N4S3
Molecular Weight300.48 g/mol
Exact Mass300.05
IUPAC Name5-[2-(ethylsulfanylmethyl)-1,3-thiazol-5-yl]-N-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(-c2cnc(CSCC)s2)s1
InChIInChI=1S/C11H16N4S3/c1-3-5-12-11-15-14-10(18-11)8-6-13-9(17-8)7-16-4-2/h6H,3-5,7H2,1-2H3,(H,12,15)
InChIKeyVQWUCEDPIQNXGN-UHFFFAOYSA-N
XLogP3.74
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.48
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(ethylsulfanylmethyl)-1,3-thiazol-5-yl]-N-propyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[2-(ethylsulfanylmethyl)-1,3-thiazol-5-yl]-N-propyl-1,3,4-thiadiazol-2-amine (CID 82423311) is 5-[2-(ethylsulfanylmethyl)-1,3-thiazol-5-yl]-N-propyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[2-(ethylsulfanylmethyl)-1,3-thiazol-5-yl]-N-propyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[2-(ethylsulfanylmethyl)-1,3-thiazol-5-yl]-N-propyl-1,3,4-thiadiazol-2-amine is CCCNc1nnc(-c2cnc(CSCC)s2)s1.
What is the InChIKey of 5-[2-(ethylsulfanylmethyl)-1,3-thiazol-5-yl]-N-propyl-1,3,4-thiadiazol-2-amine?
The InChIKey is VQWUCEDPIQNXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S3/c1-3-5-12-11-15-14-10(18-11)8-6-13-9(17-8)7-16-4-2/h6H,3-5,7H2,1-2H3,(H,12,15).
What are the key properties of 5-[2-(ethylsulfanylmethyl)-1,3-thiazol-5-yl]-N-propyl-1,3,4-thiadiazol-2-amine?
5-[2-(ethylsulfanylmethyl)-1,3-thiazol-5-yl]-N-propyl-1,3,4-thiadiazol-2-amine has a molecular weight of 300.48 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(ethylsulfanylmethyl)-1,3-thiazol-5-yl]-N-propyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 82423311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).