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

C12H21N5S — CID 62209514

IUPAC4-[(4-cyclopropylpiperazin-1-yl)methyl]-N-ethylthiadiazol-5-amine
SMILESCCNc1snnc1CN1CCN(C2CC2)CC1
InChIInChI=1S/C12H21N5S/c1-2-13-12-11(14-15-18-12)9-16-5-7-17(8-6-16)10-3-4-10/h10,13H,2-9H2,1H3
InChIKeyYYHFILSQDXLHSF-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.25
Rot. Bonds5

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

4-[(4-cyclopropylpiperazin-1-yl)methyl]-N-ethylthiadiazol-5-amine (PubChem CID 62209514) has the molecular formula C12H21N5S and a molecular weight of 267.40 g/mol. Its IUPAC name is 4-[(4-cyclopropylpiperazin-1-yl)methyl]-N-ethylthiadiazol-5-amine.

Molecular Properties

Compound Name4-[(4-cyclopropylpiperazin-1-yl)methyl]-N-ethylthiadiazol-5-amine
PubChem CID62209514
Molecular FormulaC12H21N5S
Molecular Weight267.40 g/mol
Exact Mass267.15
IUPAC Name4-[(4-cyclopropylpiperazin-1-yl)methyl]-N-ethylthiadiazol-5-amine
SMILESCCNc1snnc1CN1CCN(C2CC2)CC1
InChIInChI=1S/C12H21N5S/c1-2-13-12-11(14-15-18-12)9-16-5-7-17(8-6-16)10-3-4-10/h10,13H,2-9H2,1H3
InChIKeyYYHFILSQDXLHSF-UHFFFAOYSA-N
XLogP1.25
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyclopropylpiperazin-1-yl)methyl]-N-ethylthiadiazol-5-amine?
The IUPAC name of 4-[(4-cyclopropylpiperazin-1-yl)methyl]-N-ethylthiadiazol-5-amine (CID 62209514) is 4-[(4-cyclopropylpiperazin-1-yl)methyl]-N-ethylthiadiazol-5-amine.
What is the SMILES notation for 4-[(4-cyclopropylpiperazin-1-yl)methyl]-N-ethylthiadiazol-5-amine?
The canonical SMILES for 4-[(4-cyclopropylpiperazin-1-yl)methyl]-N-ethylthiadiazol-5-amine is CCNc1snnc1CN1CCN(C2CC2)CC1.
What is the InChIKey of 4-[(4-cyclopropylpiperazin-1-yl)methyl]-N-ethylthiadiazol-5-amine?
The InChIKey is YYHFILSQDXLHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5S/c1-2-13-12-11(14-15-18-12)9-16-5-7-17(8-6-16)10-3-4-10/h10,13H,2-9H2,1H3.
What are the key properties of 4-[(4-cyclopropylpiperazin-1-yl)methyl]-N-ethylthiadiazol-5-amine?
4-[(4-cyclopropylpiperazin-1-yl)methyl]-N-ethylthiadiazol-5-amine has a molecular weight of 267.40 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyclopropylpiperazin-1-yl)methyl]-N-ethylthiadiazol-5-amine is sourced from PubChem (CID 62209514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).