3-cyclopropyl-N-(1,3-thiazol-5-ylmethyl)-1,2,4-thiadiazol-5-amine

C9H10N4S2 — CID 104577421

IUPAC3-cyclopropyl-N-(1,3-thiazol-5-ylmethyl)-1,2,4-thiadiazol-5-amine
SMILESc1ncc(CNc2nc(C3CC3)ns2)s1
InChIInChI=1S/C9H10N4S2/c1-2-6(1)8-12-9(15-13-8)11-4-7-3-10-5-14-7/h3,5-6H,1-2,4H2,(H,11,12,13)
InChIKeyQTAYYFYDQPHKCU-UHFFFAOYSA-N
MW238.34 g/mol
LogP2.48
Rot. Bonds4

About 3-cyclopropyl-N-(1,3-thiazol-5-ylmethyl)-1,2,4-thiadiazol-5-amine

3-cyclopropyl-N-(1,3-thiazol-5-ylmethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 104577421) has the molecular formula C9H10N4S2 and a molecular weight of 238.34 g/mol. Its IUPAC name is 3-cyclopropyl-N-(1,3-thiazol-5-ylmethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-(1,3-thiazol-5-ylmethyl)-1,2,4-thiadiazol-5-amine
PubChem CID104577421
Molecular FormulaC9H10N4S2
Molecular Weight238.34 g/mol
Exact Mass238.03
IUPAC Name3-cyclopropyl-N-(1,3-thiazol-5-ylmethyl)-1,2,4-thiadiazol-5-amine
SMILESc1ncc(CNc2nc(C3CC3)ns2)s1
InChIInChI=1S/C9H10N4S2/c1-2-6(1)8-12-9(15-13-8)11-4-7-3-10-5-14-7/h3,5-6H,1-2,4H2,(H,11,12,13)
InChIKeyQTAYYFYDQPHKCU-UHFFFAOYSA-N
XLogP2.48
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-(1,3-thiazol-5-ylmethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-cyclopropyl-N-(1,3-thiazol-5-ylmethyl)-1,2,4-thiadiazol-5-amine (CID 104577421) is 3-cyclopropyl-N-(1,3-thiazol-5-ylmethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-cyclopropyl-N-(1,3-thiazol-5-ylmethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-cyclopropyl-N-(1,3-thiazol-5-ylmethyl)-1,2,4-thiadiazol-5-amine is c1ncc(CNc2nc(C3CC3)ns2)s1.
What is the InChIKey of 3-cyclopropyl-N-(1,3-thiazol-5-ylmethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is QTAYYFYDQPHKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4S2/c1-2-6(1)8-12-9(15-13-8)11-4-7-3-10-5-14-7/h3,5-6H,1-2,4H2,(H,11,12,13).
What are the key properties of 3-cyclopropyl-N-(1,3-thiazol-5-ylmethyl)-1,2,4-thiadiazol-5-amine?
3-cyclopropyl-N-(1,3-thiazol-5-ylmethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 238.34 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-(1,3-thiazol-5-ylmethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 104577421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).