4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-ethylthiadiazol-5-amine

C13H23N5S — CID 55046143

IUPAC4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-ethylthiadiazol-5-amine
SMILESCCNc1snnc1CN1CCN(CC2CC2)CC1
InChIInChI=1S/C13H23N5S/c1-2-14-13-12(15-16-19-13)10-18-7-5-17(6-8-18)9-11-3-4-11/h11,14H,2-10H2,1H3
InChIKeySCACJDFSJUSTEU-UHFFFAOYSA-N
MW281.43 g/mol
LogP1.50
Rot. Bonds6

About 4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-ethylthiadiazol-5-amine

4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-ethylthiadiazol-5-amine (PubChem CID 55046143) has the molecular formula C13H23N5S and a molecular weight of 281.43 g/mol. Its IUPAC name is 4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-ethylthiadiazol-5-amine.

Molecular Properties

Compound Name4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-ethylthiadiazol-5-amine
PubChem CID55046143
Molecular FormulaC13H23N5S
Molecular Weight281.43 g/mol
Exact Mass281.17
IUPAC Name4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-ethylthiadiazol-5-amine
SMILESCCNc1snnc1CN1CCN(CC2CC2)CC1
InChIInChI=1S/C13H23N5S/c1-2-14-13-12(15-16-19-13)10-18-7-5-17(6-8-18)9-11-3-4-11/h11,14H,2-10H2,1H3
InChIKeySCACJDFSJUSTEU-UHFFFAOYSA-N
XLogP1.50
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.43
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-ethylthiadiazol-5-amine?
The IUPAC name of 4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-ethylthiadiazol-5-amine (CID 55046143) is 4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-ethylthiadiazol-5-amine.
What is the SMILES notation for 4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-ethylthiadiazol-5-amine?
The canonical SMILES for 4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-ethylthiadiazol-5-amine is CCNc1snnc1CN1CCN(CC2CC2)CC1.
What is the InChIKey of 4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-ethylthiadiazol-5-amine?
The InChIKey is SCACJDFSJUSTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5S/c1-2-14-13-12(15-16-19-13)10-18-7-5-17(6-8-18)9-11-3-4-11/h11,14H,2-10H2,1H3.
What are the key properties of 4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-ethylthiadiazol-5-amine?
4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-ethylthiadiazol-5-amine has a molecular weight of 281.43 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-ethylthiadiazol-5-amine is sourced from PubChem (CID 55046143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).