1-(cyclopropanecarbonyl)-N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide

C18H21N3O2S — CID 26115537

IUPAC1-(cyclopropanecarbonyl)-N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide
SMILESCc1nc2ccc(NC(=O)C3CCN(C(=O)C4CC4)CC3)cc2s1
InChIInChI=1S/C18H21N3O2S/c1-11-19-15-5-4-14(10-16(15)24-11)20-17(22)12-6-8-21(9-7-12)18(23)13-2-3-13/h4-5,10,12-13H,2-3,6-9H2,1H3,(H,20,22)
InChIKeyJQMNAJFVRMETEK-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.19
Rot. Bonds3

About 1-(cyclopropanecarbonyl)-N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide

1-(cyclopropanecarbonyl)-N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide (PubChem CID 26115537) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide
PubChem CID26115537
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name1-(cyclopropanecarbonyl)-N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide
SMILESCc1nc2ccc(NC(=O)C3CCN(C(=O)C4CC4)CC3)cc2s1
InChIInChI=1S/C18H21N3O2S/c1-11-19-15-5-4-14(10-16(15)24-11)20-17(22)12-6-8-21(9-7-12)18(23)13-2-3-13/h4-5,10,12-13H,2-3,6-9H2,1H3,(H,20,22)
InChIKeyJQMNAJFVRMETEK-UHFFFAOYSA-N
XLogP3.19
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-methyl-1,3-benzothiazol-6-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120674363
N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide
CID 43702522
N-(2-methyl-1,3-benzothiazol-6-yl)-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 4782960
4-(aminomethyl)-N-(2-methyl-1,3-benzothiazol-6-yl)cyclohexane-1-carboxamide
CID 79511681
3-amino-N-(2-methyl-1,3-benzothiazol-6-yl)cyclopentane-1-carboxamide
CID 66009345
1-(5-chlorothiophen-2-yl)sulfonyl-N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide
CID 16830594
(3S)-3-hydroxy-N-(2-methyl-1,3-benzothiazol-6-yl)pyrrolidine-1-carboxamide
CID 111431157
trans-(1S,2S)-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide
CID 7742031
2-amino-N-(2-methyl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide
CID 114996370
(3S)-1-cyclopentyl-N-(2-methyl-1,3-benzothiazol-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 8569707
N-(1,3-benzothiazol-2-yl)-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 26251597
N-(2-methyl-1,3-benzothiazol-6-yl)-1,3-thiazolidine-4-carboxamide
CID 43702559

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide (CID 26115537) is 1-(cyclopropanecarbonyl)-N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide is Cc1nc2ccc(NC(=O)C3CCN(C(=O)C4CC4)CC3)cc2s1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide?
The InChIKey is JQMNAJFVRMETEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-11-19-15-5-4-14(10-16(15)24-11)20-17(22)12-6-8-21(9-7-12)18(23)13-2-3-13/h4-5,10,12-13H,2-3,6-9H2,1H3,(H,20,22).
What are the key properties of 1-(cyclopropanecarbonyl)-N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide?
1-(cyclopropanecarbonyl)-N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide has a molecular weight of 343.45 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide is sourced from PubChem (CID 26115537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).