1-[3-(cyclopropylmethyl)-1,2,4-thiadiazol-5-yl]propan-1-amine

C9H15N3S — CID 82398640

IUPAC1-[3-(cyclopropylmethyl)-1,2,4-thiadiazol-5-yl]propan-1-amine
SMILESCCC(N)c1nc(CC2CC2)ns1
InChIInChI=1S/C9H15N3S/c1-2-7(10)9-11-8(12-13-9)5-6-3-4-6/h6-7H,2-5,10H2,1H3
InChIKeyPECUBDBKCSSUMH-UHFFFAOYSA-N
MW197.31 g/mol
LogP1.90
Rot. Bonds4

About 1-[3-(cyclopropylmethyl)-1,2,4-thiadiazol-5-yl]propan-1-amine

1-[3-(cyclopropylmethyl)-1,2,4-thiadiazol-5-yl]propan-1-amine (PubChem CID 82398640) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 1-[3-(cyclopropylmethyl)-1,2,4-thiadiazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name1-[3-(cyclopropylmethyl)-1,2,4-thiadiazol-5-yl]propan-1-amine
PubChem CID82398640
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name1-[3-(cyclopropylmethyl)-1,2,4-thiadiazol-5-yl]propan-1-amine
SMILESCCC(N)c1nc(CC2CC2)ns1
InChIInChI=1S/C9H15N3S/c1-2-7(10)9-11-8(12-13-9)5-6-3-4-6/h6-7H,2-5,10H2,1H3
InChIKeyPECUBDBKCSSUMH-UHFFFAOYSA-N
XLogP1.90
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopropylmethyl)-1,2,4-thiadiazol-5-yl]propan-1-amine?
The IUPAC name of 1-[3-(cyclopropylmethyl)-1,2,4-thiadiazol-5-yl]propan-1-amine (CID 82398640) is 1-[3-(cyclopropylmethyl)-1,2,4-thiadiazol-5-yl]propan-1-amine.
What is the SMILES notation for 1-[3-(cyclopropylmethyl)-1,2,4-thiadiazol-5-yl]propan-1-amine?
The canonical SMILES for 1-[3-(cyclopropylmethyl)-1,2,4-thiadiazol-5-yl]propan-1-amine is CCC(N)c1nc(CC2CC2)ns1.
What is the InChIKey of 1-[3-(cyclopropylmethyl)-1,2,4-thiadiazol-5-yl]propan-1-amine?
The InChIKey is PECUBDBKCSSUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-2-7(10)9-11-8(12-13-9)5-6-3-4-6/h6-7H,2-5,10H2,1H3.
What are the key properties of 1-[3-(cyclopropylmethyl)-1,2,4-thiadiazol-5-yl]propan-1-amine?
1-[3-(cyclopropylmethyl)-1,2,4-thiadiazol-5-yl]propan-1-amine has a molecular weight of 197.31 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopropylmethyl)-1,2,4-thiadiazol-5-yl]propan-1-amine is sourced from PubChem (CID 82398640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).