3-(4-methylpiperazin-1-yl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine

C10H19N5S — CID 65269225

IUPAC3-(4-methylpiperazin-1-yl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)Nc1nc(N2CCN(C)CC2)ns1
InChIInChI=1S/C10H19N5S/c1-8(2)11-10-12-9(13-16-10)15-6-4-14(3)5-7-15/h8H,4-7H2,1-3H3,(H,11,12,13)
InChIKeyOUTNSIYFVPWZEZ-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.11
Rot. Bonds3

About 3-(4-methylpiperazin-1-yl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine

3-(4-methylpiperazin-1-yl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine (PubChem CID 65269225) has the molecular formula C10H19N5S and a molecular weight of 241.36 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine
PubChem CID65269225
Molecular FormulaC10H19N5S
Molecular Weight241.36 g/mol
Exact Mass241.14
IUPAC Name3-(4-methylpiperazin-1-yl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)Nc1nc(N2CCN(C)CC2)ns1
InChIInChI=1S/C10H19N5S/c1-8(2)11-10-12-9(13-16-10)15-6-4-14(3)5-7-15/h8H,4-7H2,1-3H3,(H,11,12,13)
InChIKeyOUTNSIYFVPWZEZ-UHFFFAOYSA-N
XLogP1.11
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(4-methylpiperazin-1-yl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine (CID 65269225) is 3-(4-methylpiperazin-1-yl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine is CC(C)Nc1nc(N2CCN(C)CC2)ns1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is OUTNSIYFVPWZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5S/c1-8(2)11-10-12-9(13-16-10)15-6-4-14(3)5-7-15/h8H,4-7H2,1-3H3,(H,11,12,13).
What are the key properties of 3-(4-methylpiperazin-1-yl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine?
3-(4-methylpiperazin-1-yl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 241.36 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65269225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).