2-amino-2-cyclopropyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanenitrile

C9H12N4S2 — CID 63906168

IUPAC2-amino-2-cyclopropyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanenitrile
SMILESCc1nnc(SCC(N)(C#N)C2CC2)s1
InChIInChI=1S/C9H12N4S2/c1-6-12-13-8(15-6)14-5-9(11,4-10)7-2-3-7/h7H,2-3,5,11H2,1H3
InChIKeyXWCGXCRBMKZNKS-UHFFFAOYSA-N
MW240.36 g/mol
LogP1.57
Rot. Bonds4

About 2-amino-2-cyclopropyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanenitrile

2-amino-2-cyclopropyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanenitrile (PubChem CID 63906168) has the molecular formula C9H12N4S2 and a molecular weight of 240.36 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanenitrile.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanenitrile
PubChem CID63906168
Molecular FormulaC9H12N4S2
Molecular Weight240.36 g/mol
Exact Mass240.05
IUPAC Name2-amino-2-cyclopropyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanenitrile
SMILESCc1nnc(SCC(N)(C#N)C2CC2)s1
InChIInChI=1S/C9H12N4S2/c1-6-12-13-8(15-6)14-5-9(11,4-10)7-2-3-7/h7H,2-3,5,11H2,1H3
InChIKeyXWCGXCRBMKZNKS-UHFFFAOYSA-N
XLogP1.57
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.36
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanenitrile?
The IUPAC name of 2-amino-2-cyclopropyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanenitrile (CID 63906168) is 2-amino-2-cyclopropyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanenitrile.
What is the SMILES notation for 2-amino-2-cyclopropyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanenitrile?
The canonical SMILES for 2-amino-2-cyclopropyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanenitrile is Cc1nnc(SCC(N)(C#N)C2CC2)s1.
What is the InChIKey of 2-amino-2-cyclopropyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanenitrile?
The InChIKey is XWCGXCRBMKZNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S2/c1-6-12-13-8(15-6)14-5-9(11,4-10)7-2-3-7/h7H,2-3,5,11H2,1H3.
What are the key properties of 2-amino-2-cyclopropyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanenitrile?
2-amino-2-cyclopropyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanenitrile has a molecular weight of 240.36 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanenitrile is sourced from PubChem (CID 63906168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).