2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide

C20H30N4O2S — CID 53188322

IUPAC2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
SMILESCCCNC(=O)C1CCc2nc(N3CCN(C(=O)C4CCC4)CC3)sc2C1
InChIInChI=1S/C20H30N4O2S/c1-2-8-21-18(25)15-6-7-16-17(13-15)27-20(22-16)24-11-9-23(10-12-24)19(26)14-4-3-5-14/h14-15H,2-13H2,1H3,(H,21,25)
InChIKeyGDKINAICXQVEIJ-UHFFFAOYSA-N
MW390.55 g/mol
LogP2.22
Rot. Bonds5

About 2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide

2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide (PubChem CID 53188322) has the molecular formula C20H30N4O2S and a molecular weight of 390.55 g/mol. Its IUPAC name is 2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
PubChem CID53188322
Molecular FormulaC20H30N4O2S
Molecular Weight390.55 g/mol
Exact Mass390.21
IUPAC Name2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
SMILESCCCNC(=O)C1CCc2nc(N3CCN(C(=O)C4CCC4)CC3)sc2C1
InChIInChI=1S/C20H30N4O2S/c1-2-8-21-18(25)15-6-7-16-17(13-15)27-20(22-16)24-11-9-23(10-12-24)19(26)14-4-3-5-14/h14-15H,2-13H2,1H3,(H,21,25)
InChIKeyGDKINAICXQVEIJ-UHFFFAOYSA-N
XLogP2.22
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.55
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-N-(cyclohexylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 53188344
cyclobutyl-[4-[(6S)-6-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]piperazin-1-yl]methanone
CID 95109720
2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 53188342
1-[4-[6-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]piperazin-1-yl]ethanone
CID 53188181
(6S)-N-cyclopentyl-2-(4-propanoylpiperazin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 95109746
1-[4-[6-(4-propylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]piperazin-1-yl]propan-1-one
CID 53188365
2-methyl-1-[4-[6-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]piperazin-1-yl]propan-1-one
CID 53188318
1-[4-[6-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]piperazin-1-yl]propan-1-one
CID 53188230
(6R)-N-[(4-chlorophenyl)methyl]-2-(4-propanoylpiperazin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 95109513
2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-(2-pyridin-4-ylethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 53203745
(6R)-2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-(2-pyridin-3-ylethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 95115252
ethyl 1-[(6R)-2-(4-acetylpiperazin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carbonyl]piperidine-4-carboxylate
CID 95109743

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide (CID 53188322) is 2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide is CCCNC(=O)C1CCc2nc(N3CCN(C(=O)C4CCC4)CC3)sc2C1.
What is the InChIKey of 2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide?
The InChIKey is GDKINAICXQVEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2S/c1-2-8-21-18(25)15-6-7-16-17(13-15)27-20(22-16)24-11-9-23(10-12-24)19(26)14-4-3-5-14/h14-15H,2-13H2,1H3,(H,21,25).
What are the key properties of 2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide?
2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide has a molecular weight of 390.55 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 53188322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).