N-propyl-4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)thiadiazol-5-amine

C8H11N5S3 — CID 62188064

IUPACN-propyl-4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)thiadiazol-5-amine
SMILESCCCNc1snnc1CSc1nncs1
InChIInChI=1S/C8H11N5S3/c1-2-3-9-7-6(11-13-16-7)4-14-8-12-10-5-15-8/h5,9H,2-4H2,1H3
InChIKeyUUUPBGVMQUKKNA-UHFFFAOYSA-N
MW273.41 g/mol
LogP2.50
Rot. Bonds6

About N-propyl-4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)thiadiazol-5-amine

N-propyl-4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)thiadiazol-5-amine (PubChem CID 62188064) has the molecular formula C8H11N5S3 and a molecular weight of 273.41 g/mol. Its IUPAC name is N-propyl-4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)thiadiazol-5-amine.

Molecular Properties

Compound NameN-propyl-4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)thiadiazol-5-amine
PubChem CID62188064
Molecular FormulaC8H11N5S3
Molecular Weight273.41 g/mol
Exact Mass273.02
IUPAC NameN-propyl-4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)thiadiazol-5-amine
SMILESCCCNc1snnc1CSc1nncs1
InChIInChI=1S/C8H11N5S3/c1-2-3-9-7-6(11-13-16-7)4-14-8-12-10-5-15-8/h5,9H,2-4H2,1H3
InChIKeyUUUPBGVMQUKKNA-UHFFFAOYSA-N
XLogP2.50
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.41
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-propyl-4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)thiadiazol-5-amine?
The IUPAC name of N-propyl-4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)thiadiazol-5-amine (CID 62188064) is N-propyl-4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)thiadiazol-5-amine.
What is the SMILES notation for N-propyl-4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)thiadiazol-5-amine?
The canonical SMILES for N-propyl-4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)thiadiazol-5-amine is CCCNc1snnc1CSc1nncs1.
What is the InChIKey of N-propyl-4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)thiadiazol-5-amine?
The InChIKey is UUUPBGVMQUKKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5S3/c1-2-3-9-7-6(11-13-16-7)4-14-8-12-10-5-15-8/h5,9H,2-4H2,1H3.
What are the key properties of N-propyl-4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)thiadiazol-5-amine?
N-propyl-4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)thiadiazol-5-amine has a molecular weight of 273.41 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)thiadiazol-5-amine is sourced from PubChem (CID 62188064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).