2-[4-(cyclopropylmethyl)piperazin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

C15H24N4S — CID 62750372

IUPAC2-[4-(cyclopropylmethyl)piperazin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESNC1CCCc2nc(N3CCN(CC4CC4)CC3)sc21
InChIInChI=1S/C15H24N4S/c16-12-2-1-3-13-14(12)20-15(17-13)19-8-6-18(7-9-19)10-11-4-5-11/h11-12H,1-10,16H2
InChIKeyCRAQVAXNHXPFOG-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.01
Rot. Bonds3

About 2-[4-(cyclopropylmethyl)piperazin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

2-[4-(cyclopropylmethyl)piperazin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (PubChem CID 62750372) has the molecular formula C15H24N4S and a molecular weight of 292.45 g/mol. Its IUPAC name is 2-[4-(cyclopropylmethyl)piperazin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.

Molecular Properties

Compound Name2-[4-(cyclopropylmethyl)piperazin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
PubChem CID62750372
Molecular FormulaC15H24N4S
Molecular Weight292.45 g/mol
Exact Mass292.17
IUPAC Name2-[4-(cyclopropylmethyl)piperazin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESNC1CCCc2nc(N3CCN(CC4CC4)CC3)sc21
InChIInChI=1S/C15H24N4S/c16-12-2-1-3-13-14(12)20-15(17-13)19-8-6-18(7-9-19)10-11-4-5-11/h11-12H,1-10,16H2
InChIKeyCRAQVAXNHXPFOG-UHFFFAOYSA-N
XLogP2.01
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(cyclopropylmethyl)piperazin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylmethyl)piperazin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The IUPAC name of 2-[4-(cyclopropylmethyl)piperazin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (CID 62750372) is 2-[4-(cyclopropylmethyl)piperazin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.
What is the SMILES notation for 2-[4-(cyclopropylmethyl)piperazin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The canonical SMILES for 2-[4-(cyclopropylmethyl)piperazin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is NC1CCCc2nc(N3CCN(CC4CC4)CC3)sc21.
What is the InChIKey of 2-[4-(cyclopropylmethyl)piperazin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The InChIKey is CRAQVAXNHXPFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4S/c16-12-2-1-3-13-14(12)20-15(17-13)19-8-6-18(7-9-19)10-11-4-5-11/h11-12H,1-10,16H2.
What are the key properties of 2-[4-(cyclopropylmethyl)piperazin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
2-[4-(cyclopropylmethyl)piperazin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine has a molecular weight of 292.45 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylmethyl)piperazin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is sourced from PubChem (CID 62750372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).