2-methyl-N-[(1S)-1-pyridin-2-ylethyl]-1,3-benzothiazole-6-carboxamide

C16H15N3OS — CID 51599963

IUPAC2-methyl-N-[(1S)-1-pyridin-2-ylethyl]-1,3-benzothiazole-6-carboxamide
SMILESCc1nc2ccc(C(=O)N[C@@H](C)c3ccccn3)cc2s1
InChIInChI=1S/C16H15N3OS/c1-10(13-5-3-4-8-17-13)18-16(20)12-6-7-14-15(9-12)21-11(2)19-14/h3-10H,1-2H3,(H,18,20)/t10-/m0/s1
InChIKeyYSWOSWLJTZCRDO-JTQLQIEISA-N
MW297.38 g/mol
LogP3.49
Rot. Bonds3

About 2-methyl-N-[(1S)-1-pyridin-2-ylethyl]-1,3-benzothiazole-6-carboxamide

2-methyl-N-[(1S)-1-pyridin-2-ylethyl]-1,3-benzothiazole-6-carboxamide (PubChem CID 51599963) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-methyl-N-[(1S)-1-pyridin-2-ylethyl]-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(1S)-1-pyridin-2-ylethyl]-1,3-benzothiazole-6-carboxamide
PubChem CID51599963
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name2-methyl-N-[(1S)-1-pyridin-2-ylethyl]-1,3-benzothiazole-6-carboxamide
SMILESCc1nc2ccc(C(=O)N[C@@H](C)c3ccccn3)cc2s1
InChIInChI=1S/C16H15N3OS/c1-10(13-5-3-4-8-17-13)18-16(20)12-6-7-14-15(9-12)21-11(2)19-14/h3-10H,1-2H3,(H,18,20)/t10-/m0/s1
InChIKeyYSWOSWLJTZCRDO-JTQLQIEISA-N
XLogP3.49
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4-methyl-N-(1-pyridin-2-ylethyl)benzamide
CID 43524264
N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-methyl-1,3-benzothiazole-6-carboxamide
CID 77084354
4-methyl-N-[(1R)-1-pyridin-2-ylethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 94588634
4-tert-butyl-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 35939821
4-amino-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 81407597
3-acetamido-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 41042353
4-amino-3-chloro-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 81407020
3-amino-4-bromo-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 107813259
2-chloro-N-[(1R)-1-phenylethyl]-1,3-benzothiazole-6-carboxamide
CID 100787147
4-(methylamino)-N-(1-pyridin-2-ylethyl)benzamide
CID 62168146
(3R)-3-[(2-methyl-1,3-benzothiazole-6-carbonyl)amino]hexanoic acid
CID 126451493
N-[(1S)-1-pyridin-2-ylethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103999250

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1S)-1-pyridin-2-ylethyl]-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-methyl-N-[(1S)-1-pyridin-2-ylethyl]-1,3-benzothiazole-6-carboxamide (CID 51599963) is 2-methyl-N-[(1S)-1-pyridin-2-ylethyl]-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-methyl-N-[(1S)-1-pyridin-2-ylethyl]-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-methyl-N-[(1S)-1-pyridin-2-ylethyl]-1,3-benzothiazole-6-carboxamide is Cc1nc2ccc(C(=O)N[C@@H](C)c3ccccn3)cc2s1.
What is the InChIKey of 2-methyl-N-[(1S)-1-pyridin-2-ylethyl]-1,3-benzothiazole-6-carboxamide?
The InChIKey is YSWOSWLJTZCRDO-JTQLQIEISA-N. The full InChI is InChI=1S/C16H15N3OS/c1-10(13-5-3-4-8-17-13)18-16(20)12-6-7-14-15(9-12)21-11(2)19-14/h3-10H,1-2H3,(H,18,20)/t10-/m0/s1.
What are the key properties of 2-methyl-N-[(1S)-1-pyridin-2-ylethyl]-1,3-benzothiazole-6-carboxamide?
2-methyl-N-[(1S)-1-pyridin-2-ylethyl]-1,3-benzothiazole-6-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1S)-1-pyridin-2-ylethyl]-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 51599963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).