2-cyclopropyl-4-(piperazin-1-ylmethyl)-1,3-benzothiazole

C15H19N3S — CID 117436564

IUPAC2-cyclopropyl-4-(piperazin-1-ylmethyl)-1,3-benzothiazole
SMILESc1cc(CN2CCNCC2)c2nc(C3CC3)sc2c1
InChIInChI=1S/C15H19N3S/c1-2-12(10-18-8-6-16-7-9-18)14-13(3-1)19-15(17-14)11-4-5-11/h1-3,11,16H,4-10H2
InChIKeyUVCFCHXQXRUVCY-UHFFFAOYSA-N
MW273.40 g/mol
LogP2.58
Rot. Bonds3

About 2-cyclopropyl-4-(piperazin-1-ylmethyl)-1,3-benzothiazole

2-cyclopropyl-4-(piperazin-1-ylmethyl)-1,3-benzothiazole (PubChem CID 117436564) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is 2-cyclopropyl-4-(piperazin-1-ylmethyl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-cyclopropyl-4-(piperazin-1-ylmethyl)-1,3-benzothiazole
PubChem CID117436564
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC Name2-cyclopropyl-4-(piperazin-1-ylmethyl)-1,3-benzothiazole
SMILESc1cc(CN2CCNCC2)c2nc(C3CC3)sc2c1
InChIInChI=1S/C15H19N3S/c1-2-12(10-18-8-6-16-7-9-18)14-13(3-1)19-15(17-14)11-4-5-11/h1-3,11,16H,4-10H2
InChIKeyUVCFCHXQXRUVCY-UHFFFAOYSA-N
XLogP2.58
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-4-(piperazin-1-ylmethyl)-1,3-benzothiazole with MolForge

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

Launch Full Analysis

Related Compounds

4-(2-cyclopropyl-1,3-benzothiazol-4-yl)butan-1-amine
CID 117368801
8-(piperazin-1-ylmethyl)quinoline;dihydrochloride
CID 82025621
2-methyl-4-(piperazin-1-ylmethyl)-1,3-benzoxazole
CID 82510160
2-cyclopropyl-6-(2-piperazin-1-ylethyl)-1,3-benzothiazole
CID 117464136
2-cyclopropyl-5-(piperazin-1-ylmethyl)-1,3,4-thiadiazole
CID 82287425
3-bromo-7-(piperazin-1-ylmethyl)-2H-indazole
CID 117475753
4,5-dimethyl-2-piperidin-4-yl-1,3-benzothiazole
CID 82373398
2-cyclopropyl-4-(2-piperazin-1-ylethyl)-1,3-thiazole
CID 96900907
1-[[6-(piperazin-1-ylmethyl)-2-pyridinyl]methyl]piperazine;tetrahydrochloride
CID 18770451
4-methyl-2-piperidin-3-yl-1,3-benzothiazole
CID 79147053
1-[(2-ethylphenyl)methyl]piperazine
CID 62415674
8-[2-[2-(piperazin-1-ylmethyl)phenyl]phenyl]quinoline
CID 91803359

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(piperazin-1-ylmethyl)-1,3-benzothiazole?
The IUPAC name of 2-cyclopropyl-4-(piperazin-1-ylmethyl)-1,3-benzothiazole (CID 117436564) is 2-cyclopropyl-4-(piperazin-1-ylmethyl)-1,3-benzothiazole.
What is the SMILES notation for 2-cyclopropyl-4-(piperazin-1-ylmethyl)-1,3-benzothiazole?
The canonical SMILES for 2-cyclopropyl-4-(piperazin-1-ylmethyl)-1,3-benzothiazole is c1cc(CN2CCNCC2)c2nc(C3CC3)sc2c1.
What is the InChIKey of 2-cyclopropyl-4-(piperazin-1-ylmethyl)-1,3-benzothiazole?
The InChIKey is UVCFCHXQXRUVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-2-12(10-18-8-6-16-7-9-18)14-13(3-1)19-15(17-14)11-4-5-11/h1-3,11,16H,4-10H2.
What are the key properties of 2-cyclopropyl-4-(piperazin-1-ylmethyl)-1,3-benzothiazole?
2-cyclopropyl-4-(piperazin-1-ylmethyl)-1,3-benzothiazole has a molecular weight of 273.40 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(piperazin-1-ylmethyl)-1,3-benzothiazole is sourced from PubChem (CID 117436564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).