2-piperidin-1-yl-N-propan-2-yl-1,3-benzothiazole-6-carboxamide

C16H21N3OS — CID 20889589

IUPAC2-piperidin-1-yl-N-propan-2-yl-1,3-benzothiazole-6-carboxamide
SMILESCC(C)NC(=O)c1ccc2nc(N3CCCCC3)sc2c1
InChIInChI=1S/C16H21N3OS/c1-11(2)17-15(20)12-6-7-13-14(10-12)21-16(18-13)19-8-4-3-5-9-19/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,17,20)
InChIKeyKBEJQTBTWSTHMI-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.42
Rot. Bonds3

About 2-piperidin-1-yl-N-propan-2-yl-1,3-benzothiazole-6-carboxamide

2-piperidin-1-yl-N-propan-2-yl-1,3-benzothiazole-6-carboxamide (PubChem CID 20889589) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 2-piperidin-1-yl-N-propan-2-yl-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-piperidin-1-yl-N-propan-2-yl-1,3-benzothiazole-6-carboxamide
PubChem CID20889589
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name2-piperidin-1-yl-N-propan-2-yl-1,3-benzothiazole-6-carboxamide
SMILESCC(C)NC(=O)c1ccc2nc(N3CCCCC3)sc2c1
InChIInChI=1S/C16H21N3OS/c1-11(2)17-15(20)12-6-7-13-14(10-12)21-16(18-13)19-8-4-3-5-9-19/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,17,20)
InChIKeyKBEJQTBTWSTHMI-UHFFFAOYSA-N
XLogP3.42
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-2-piperidin-1-yl-1,3-benzothiazole-6-carboxamide
CID 118618781
2-pyrrolidin-1-yl-1,3-benzothiazole-6-carboxylic acid
CID 53212651
N-(4-methylphenyl)-2-piperidin-1-yl-1,3-benzothiazole-6-carboxamide
CID 46261514
N-(2-methoxy-4-pyridinyl)-2-pyrrolidin-1-yl-1,3-benzothiazole-6-carboxamide
CID 57412024
N-(3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl)-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide
CID 45370497
N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide
CID 74662376
N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-piperidin-1-yl-1,3-benzothiazole-6-carboxamide
CID 20889620
(2R)-2-amino-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)propanamide
CID 119839191
(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl) 4-acetylbenzoate
CID 8611178
N-[(2R)-3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide
CID 51809095
N-(4-methoxyphenyl)-2-piperidin-1-yl-1,3-benzothiazole-5-carboxamide
CID 118618806
N-(1,3-benzodioxol-5-ylmethyl)-2-piperidin-1-yl-1,3-benzothiazole-6-carboxamide
CID 20889588

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-N-propan-2-yl-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-piperidin-1-yl-N-propan-2-yl-1,3-benzothiazole-6-carboxamide (CID 20889589) is 2-piperidin-1-yl-N-propan-2-yl-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-piperidin-1-yl-N-propan-2-yl-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-piperidin-1-yl-N-propan-2-yl-1,3-benzothiazole-6-carboxamide is CC(C)NC(=O)c1ccc2nc(N3CCCCC3)sc2c1.
What is the InChIKey of 2-piperidin-1-yl-N-propan-2-yl-1,3-benzothiazole-6-carboxamide?
The InChIKey is KBEJQTBTWSTHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-11(2)17-15(20)12-6-7-13-14(10-12)21-16(18-13)19-8-4-3-5-9-19/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,17,20).
What are the key properties of 2-piperidin-1-yl-N-propan-2-yl-1,3-benzothiazole-6-carboxamide?
2-piperidin-1-yl-N-propan-2-yl-1,3-benzothiazole-6-carboxamide has a molecular weight of 303.43 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-N-propan-2-yl-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 20889589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).