N-[5-(2-methylpiperidine-1-carbonyl)-7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl]cyclobutanecarboxamide

C19H25N3O3S — CID 45176063

IUPACN-[5-(2-methylpiperidine-1-carbonyl)-7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl]cyclobutanecarboxamide
SMILESCC1CCCCN1C(=O)C1CC(=O)c2sc(NC(=O)C3CCC3)nc2C1
InChIInChI=1S/C19H25N3O3S/c1-11-5-2-3-8-22(11)18(25)13-9-14-16(15(23)10-13)26-19(20-14)21-17(24)12-6-4-7-12/h11-13H,2-10H2,1H3,(H,20,21,24)
InChIKeyHKMQSZGOPCVBQI-UHFFFAOYSA-N
MW375.49 g/mol
LogP3.03
Rot. Bonds3

About N-[5-(2-methylpiperidine-1-carbonyl)-7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl]cyclobutanecarboxamide

N-[5-(2-methylpiperidine-1-carbonyl)-7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl]cyclobutanecarboxamide (PubChem CID 45176063) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is N-[5-(2-methylpiperidine-1-carbonyl)-7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[5-(2-methylpiperidine-1-carbonyl)-7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl]cyclobutanecarboxamide
PubChem CID45176063
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC NameN-[5-(2-methylpiperidine-1-carbonyl)-7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl]cyclobutanecarboxamide
SMILESCC1CCCCN1C(=O)C1CC(=O)c2sc(NC(=O)C3CCC3)nc2C1
InChIInChI=1S/C19H25N3O3S/c1-11-5-2-3-8-22(11)18(25)13-9-14-16(15(23)10-13)26-19(20-14)21-17(24)12-6-4-7-12/h11-13H,2-10H2,1H3,(H,20,21,24)
InChIKeyHKMQSZGOPCVBQI-UHFFFAOYSA-N
XLogP3.03
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5,5-Dimethyl-7-oxo-4,5,6,7-tetrahydro-benzothiazol-2-yl)-2-piperidin-1-yl-acetamide
CID 741972
5,5-dimethyl-2-(piperidin-1-yl)-5,6-dihydrobenzo[d]thiazol-7(4H)-one
CID 622000
N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(4-morpholinyl)acetamide
CID 741973
rac-2-morpholino-5-propyl-5,6-dihydrobenzo[d]thiazol-7(4H)-one
CID 11998447
N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydrobenzo[d]thiazol-2-yl)cyclopropanecarboxamide
CID 3152380
N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2,2-dimethylpropanamide
CID 3152645
N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-methylbutanamide
CID 5169988
N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2-(2,5-dioxo-1-pyrrolidinyl)acetamide
CID 5226251
N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 2829723
2-[2-(3,3-dimethylpiperidin-1-yl)ethylamino]-5,6-dihydro-4H-1,3-benzothiazol-7-one;hydrochloride
CID 57390621
2-(3,3-dimethylpiperidin-1-yl)-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetamide;hydrochloride
CID 57392404
(2S)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-1-methylpyrrolidine-2-carboxamide
CID 172436742

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methylpiperidine-1-carbonyl)-7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl]cyclobutanecarboxamide?
The IUPAC name of N-[5-(2-methylpiperidine-1-carbonyl)-7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl]cyclobutanecarboxamide (CID 45176063) is N-[5-(2-methylpiperidine-1-carbonyl)-7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[5-(2-methylpiperidine-1-carbonyl)-7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[5-(2-methylpiperidine-1-carbonyl)-7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl]cyclobutanecarboxamide is CC1CCCCN1C(=O)C1CC(=O)c2sc(NC(=O)C3CCC3)nc2C1.
What is the InChIKey of N-[5-(2-methylpiperidine-1-carbonyl)-7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl]cyclobutanecarboxamide?
The InChIKey is HKMQSZGOPCVBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-11-5-2-3-8-22(11)18(25)13-9-14-16(15(23)10-13)26-19(20-14)21-17(24)12-6-4-7-12/h11-13H,2-10H2,1H3,(H,20,21,24).
What are the key properties of N-[5-(2-methylpiperidine-1-carbonyl)-7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl]cyclobutanecarboxamide?
N-[5-(2-methylpiperidine-1-carbonyl)-7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl]cyclobutanecarboxamide has a molecular weight of 375.49 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methylpiperidine-1-carbonyl)-7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl]cyclobutanecarboxamide is sourced from PubChem (CID 45176063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).