2-(4-cyclopropylpiperazin-1-yl)-1,3-benzothiazole-6-carboxamide

C15H18N4OS — CID 68654949

IUPAC2-(4-cyclopropylpiperazin-1-yl)-1,3-benzothiazole-6-carboxamide
SMILESNC(=O)c1ccc2nc(N3CCN(C4CC4)CC3)sc2c1
InChIInChI=1S/C15H18N4OS/c16-14(20)10-1-4-12-13(9-10)21-15(17-12)19-7-5-18(6-8-19)11-2-3-11/h1,4,9,11H,2-3,5-8H2,(H2,16,20)
InChIKeyMDINUOFHROSKDQ-UHFFFAOYSA-N
MW302.40 g/mol
LogP1.68
Rot. Bonds3

About 2-(4-cyclopropylpiperazin-1-yl)-1,3-benzothiazole-6-carboxamide

2-(4-cyclopropylpiperazin-1-yl)-1,3-benzothiazole-6-carboxamide (PubChem CID 68654949) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-(4-cyclopropylpiperazin-1-yl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-(4-cyclopropylpiperazin-1-yl)-1,3-benzothiazole-6-carboxamide
PubChem CID68654949
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name2-(4-cyclopropylpiperazin-1-yl)-1,3-benzothiazole-6-carboxamide
SMILESNC(=O)c1ccc2nc(N3CCN(C4CC4)CC3)sc2c1
InChIInChI=1S/C15H18N4OS/c16-14(20)10-1-4-12-13(9-10)21-15(17-12)19-7-5-18(6-8-19)11-2-3-11/h1,4,9,11H,2-3,5-8H2,(H2,16,20)
InChIKeyMDINUOFHROSKDQ-UHFFFAOYSA-N
XLogP1.68
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-cyclopropylpiperazin-1-yl)-1,3-benzothiazole-6-carbaldehyde
CID 59588794
2-pyrrolidin-1-yl-1,3-benzothiazole-6-carboxylic acid
CID 53212651
6-chloro-2-(4-cyclopentylpiperazin-1-yl)-1,3-benzothiazole;hydrochloride
CID 131730289
1-[2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-yl]ethanone
CID 141421140
1-(6-amino-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 63231156
6-methyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)-1,3-benzothiazole
CID 171702282
ethyl 2-(3-piperidin-1-ylpyrrolidin-1-yl)-1,3-benzothiazole-6-carboxylate
CID 74927118
1-(2-piperazin-1-yl-1,3-benzothiazol-6-yl)ethanone
CID 153084897
6-ethyl-2-[4-(oxan-4-yl)piperazin-1-yl]-1,3-benzothiazole
CID 172901090
1-[6-(4-carbamimidoylphenoxy)carbonyl-1,3-benzothiazol-2-yl]piperidine-4-carboxylic acid
CID 155681206
ethyl 2-(4,4-difluoropiperidin-1-yl)-1,3-benzothiazole-6-carboxylate
CID 59625687
3-chloro-N-[[2-(4-cyclopropylpiperazin-1-yl)-1,3-benzothiazol-6-yl]methyl]propane-1-sulfonamide
CID 59588791

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylpiperazin-1-yl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-(4-cyclopropylpiperazin-1-yl)-1,3-benzothiazole-6-carboxamide (CID 68654949) is 2-(4-cyclopropylpiperazin-1-yl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-(4-cyclopropylpiperazin-1-yl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-(4-cyclopropylpiperazin-1-yl)-1,3-benzothiazole-6-carboxamide is NC(=O)c1ccc2nc(N3CCN(C4CC4)CC3)sc2c1.
What is the InChIKey of 2-(4-cyclopropylpiperazin-1-yl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is MDINUOFHROSKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c16-14(20)10-1-4-12-13(9-10)21-15(17-12)19-7-5-18(6-8-19)11-2-3-11/h1,4,9,11H,2-3,5-8H2,(H2,16,20).
What are the key properties of 2-(4-cyclopropylpiperazin-1-yl)-1,3-benzothiazole-6-carboxamide?
2-(4-cyclopropylpiperazin-1-yl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylpiperazin-1-yl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 68654949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).