5-[(1-propyltetrazol-5-yl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine

C13H17N7S3 — CID 16576912

IUPAC5-[(1-propyltetrazol-5-yl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine
SMILESCCCn1nnnc1CSc1nnc(NCCc2cccs2)s1
InChIInChI=1S/C13H17N7S3/c1-2-7-20-11(15-18-19-20)9-22-13-17-16-12(23-13)14-6-5-10-4-3-8-21-10/h3-4,8H,2,5-7,9H2,1H3,(H,14,16)
InChIKeyLBJBOVDBVZQHBC-UHFFFAOYSA-N
MW367.53 g/mol
LogP2.94
Rot. Bonds9

About 5-[(1-propyltetrazol-5-yl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine

5-[(1-propyltetrazol-5-yl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 16576912) has the molecular formula C13H17N7S3 and a molecular weight of 367.53 g/mol. Its IUPAC name is 5-[(1-propyltetrazol-5-yl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(1-propyltetrazol-5-yl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine
PubChem CID16576912
Molecular FormulaC13H17N7S3
Molecular Weight367.53 g/mol
Exact Mass367.07
IUPAC Name5-[(1-propyltetrazol-5-yl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine
SMILESCCCn1nnnc1CSc1nnc(NCCc2cccs2)s1
InChIInChI=1S/C13H17N7S3/c1-2-7-20-11(15-18-19-20)9-22-13-17-16-12(23-13)14-6-5-10-4-3-8-21-10/h3-4,8H,2,5-7,9H2,1H3,(H,14,16)
InChIKeyLBJBOVDBVZQHBC-UHFFFAOYSA-N
XLogP2.94
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.53
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-propyltetrazol-5-yl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(1-propyltetrazol-5-yl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine (CID 16576912) is 5-[(1-propyltetrazol-5-yl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(1-propyltetrazol-5-yl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(1-propyltetrazol-5-yl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine is CCCn1nnnc1CSc1nnc(NCCc2cccs2)s1.
What is the InChIKey of 5-[(1-propyltetrazol-5-yl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is LBJBOVDBVZQHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N7S3/c1-2-7-20-11(15-18-19-20)9-22-13-17-16-12(23-13)14-6-5-10-4-3-8-21-10/h3-4,8H,2,5-7,9H2,1H3,(H,14,16).
What are the key properties of 5-[(1-propyltetrazol-5-yl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine?
5-[(1-propyltetrazol-5-yl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 367.53 g/mol, XLogP of 2.94, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-propyltetrazol-5-yl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 16576912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).