N-cyclopentyl-2-(4-ethylpiperazin-1-yl)-7-methyl-1,3-benzothiazole-6-carboxamide

C20H28N4OS — CID 164875173

IUPACN-cyclopentyl-2-(4-ethylpiperazin-1-yl)-7-methyl-1,3-benzothiazole-6-carboxamide
SMILESCCN1CCN(c2nc3ccc(C(=O)NC4CCCC4)c(C)c3s2)CC1
InChIInChI=1S/C20H28N4OS/c1-3-23-10-12-24(13-11-23)20-22-17-9-8-16(14(2)18(17)26-20)19(25)21-15-6-4-5-7-15/h8-9,15H,3-7,10-13H2,1-2H3,(H,21,25)
InChIKeyLKGVSEDMTLYQOL-UHFFFAOYSA-N
MW372.54 g/mol
LogP3.42
Rot. Bonds4

About N-cyclopentyl-2-(4-ethylpiperazin-1-yl)-7-methyl-1,3-benzothiazole-6-carboxamide

N-cyclopentyl-2-(4-ethylpiperazin-1-yl)-7-methyl-1,3-benzothiazole-6-carboxamide (PubChem CID 164875173) has the molecular formula C20H28N4OS and a molecular weight of 372.54 g/mol. Its IUPAC name is N-cyclopentyl-2-(4-ethylpiperazin-1-yl)-7-methyl-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(4-ethylpiperazin-1-yl)-7-methyl-1,3-benzothiazole-6-carboxamide
PubChem CID164875173
Molecular FormulaC20H28N4OS
Molecular Weight372.54 g/mol
Exact Mass372.20
IUPAC NameN-cyclopentyl-2-(4-ethylpiperazin-1-yl)-7-methyl-1,3-benzothiazole-6-carboxamide
SMILESCCN1CCN(c2nc3ccc(C(=O)NC4CCCC4)c(C)c3s2)CC1
InChIInChI=1S/C20H28N4OS/c1-3-23-10-12-24(13-11-23)20-22-17-9-8-16(14(2)18(17)26-20)19(25)21-15-6-4-5-7-15/h8-9,15H,3-7,10-13H2,1-2H3,(H,21,25)
InChIKeyLKGVSEDMTLYQOL-UHFFFAOYSA-N
XLogP3.42
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.54
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-4-(4-ethylpiperazin-1-yl)-2-phenylpyrimidine-5-carboxamide
CID 46111456
1-cyclopentyl-3-[5-(4-ethylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]urea
CID 45376677
N-[[2-(4-ethylpiperazin-1-yl)-1,3-thiazol-4-yl]methyl]cyclopentanamine
CID 82514904
ethyl 4-[[2-[2-(4-ethylpiperazin-1-yl)-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]acetyl]amino]piperidine-1-carboxylate
CID 50927784
N-(1-ethylpiperidin-4-yl)-2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 86993362
N-(1-ethylpiperidin-4-yl)-3-methylthiophene-2-carboxamide
CID 30768194
N-(1-ethylpiperidin-4-yl)pyridine-2-carboxamide
CID 69401322
N-cyclopropyl-6-(4-ethylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109339234
2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-cyclopropylacetamide
CID 34042322
1-cyclohexyl-3-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]thiourea
CID 46503358
2,4-dichloro-N-(1-ethylpiperidin-4-yl)benzamide
CID 17174058
N-(1-ethylpiperidin-4-yl)-2,4-difluorobenzamide
CID 36811979

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(4-ethylpiperazin-1-yl)-7-methyl-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-cyclopentyl-2-(4-ethylpiperazin-1-yl)-7-methyl-1,3-benzothiazole-6-carboxamide (CID 164875173) is N-cyclopentyl-2-(4-ethylpiperazin-1-yl)-7-methyl-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-cyclopentyl-2-(4-ethylpiperazin-1-yl)-7-methyl-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-cyclopentyl-2-(4-ethylpiperazin-1-yl)-7-methyl-1,3-benzothiazole-6-carboxamide is CCN1CCN(c2nc3ccc(C(=O)NC4CCCC4)c(C)c3s2)CC1.
What is the InChIKey of N-cyclopentyl-2-(4-ethylpiperazin-1-yl)-7-methyl-1,3-benzothiazole-6-carboxamide?
The InChIKey is LKGVSEDMTLYQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4OS/c1-3-23-10-12-24(13-11-23)20-22-17-9-8-16(14(2)18(17)26-20)19(25)21-15-6-4-5-7-15/h8-9,15H,3-7,10-13H2,1-2H3,(H,21,25).
What are the key properties of N-cyclopentyl-2-(4-ethylpiperazin-1-yl)-7-methyl-1,3-benzothiazole-6-carboxamide?
N-cyclopentyl-2-(4-ethylpiperazin-1-yl)-7-methyl-1,3-benzothiazole-6-carboxamide has a molecular weight of 372.54 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(4-ethylpiperazin-1-yl)-7-methyl-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 164875173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).