N-[5-(5-methoxy-1,3-benzothiazol-2-yl)-2-methyl-4-pyridinyl]acetamide

C16H15N3O2S — CID 134434330

IUPACN-[5-(5-methoxy-1,3-benzothiazol-2-yl)-2-methyl-4-pyridinyl]acetamide
SMILESCOc1ccc2sc(-c3cnc(C)cc3NC(C)=O)nc2c1
InChIInChI=1S/C16H15N3O2S/c1-9-6-13(18-10(2)20)12(8-17-9)16-19-14-7-11(21-3)4-5-15(14)22-16/h4-8H,1-3H3,(H,17,18,20)
InChIKeyYJPGGTQTHCGNOB-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.63
Rot. Bonds3

About N-[5-(5-methoxy-1,3-benzothiazol-2-yl)-2-methyl-4-pyridinyl]acetamide

N-[5-(5-methoxy-1,3-benzothiazol-2-yl)-2-methyl-4-pyridinyl]acetamide (PubChem CID 134434330) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-[5-(5-methoxy-1,3-benzothiazol-2-yl)-2-methyl-4-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-(5-methoxy-1,3-benzothiazol-2-yl)-2-methyl-4-pyridinyl]acetamide
PubChem CID134434330
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC NameN-[5-(5-methoxy-1,3-benzothiazol-2-yl)-2-methyl-4-pyridinyl]acetamide
SMILESCOc1ccc2sc(-c3cnc(C)cc3NC(C)=O)nc2c1
InChIInChI=1S/C16H15N3O2S/c1-9-6-13(18-10(2)20)12(8-17-9)16-19-14-7-11(21-3)4-5-15(14)22-16/h4-8H,1-3H3,(H,17,18,20)
InChIKeyYJPGGTQTHCGNOB-UHFFFAOYSA-N
XLogP3.63
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-{4-[2-([1,3]thiazolo[5,4-C]pyridin-2-Yl)phenoxy]phenyl}acetamide
CID 121231474
2-(2-Phenoxypyridin-3-Yl)[1,3]thiazolo[5,4-C]pyridine
CID 121231473
N-[5-(5-methoxy-1,3-benzothiazol-2-yl)pyridin-3-yl]acetamide
CID 134434352
N-(3-methoxyphenyl)thieno[3,2-b]pyridin-7-amine
CID 73348001
N-[(E,2S)-4-[6-[(4-chloro-2-propan-2-yl-1,3-benzothiazol-5-yl)oxy]-3-pyridinyl]but-3-en-2-yl]acetamide
CID 145987480
N-[(E,2S)-4-[6-[(7-fluoro-2-propan-2-yl-1,3-benzothiazol-6-yl)oxy]-3-pyridinyl]but-3-en-2-yl]acetamide
CID 145987485
N-[4-[[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)-2-pyridinyl]oxy]phenyl]acetamide
CID 155528179
N1-(4-methoxybenzyl)-2-(pyrido[3,2-d][1,3]thiazol-2-ylthio)acetamide
CID 2727534
N-[3-(5-methoxy-1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-3-(propan-2-ylamino)propanamide
CID 155148061
N-(5-methoxybenzo[d]thiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide
CID 16032399
N-(5-methoxybenzo[d]thiazol-2-yl)-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 16032416
2-Methylbenzo[d]thiazol-5-yl methyl(3-(pyridin-4-yl)benzyl)carbamate
CID 17759481

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-methoxy-1,3-benzothiazol-2-yl)-2-methyl-4-pyridinyl]acetamide?
The IUPAC name of N-[5-(5-methoxy-1,3-benzothiazol-2-yl)-2-methyl-4-pyridinyl]acetamide (CID 134434330) is N-[5-(5-methoxy-1,3-benzothiazol-2-yl)-2-methyl-4-pyridinyl]acetamide.
What is the SMILES notation for N-[5-(5-methoxy-1,3-benzothiazol-2-yl)-2-methyl-4-pyridinyl]acetamide?
The canonical SMILES for N-[5-(5-methoxy-1,3-benzothiazol-2-yl)-2-methyl-4-pyridinyl]acetamide is COc1ccc2sc(-c3cnc(C)cc3NC(C)=O)nc2c1.
What is the InChIKey of N-[5-(5-methoxy-1,3-benzothiazol-2-yl)-2-methyl-4-pyridinyl]acetamide?
The InChIKey is YJPGGTQTHCGNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-9-6-13(18-10(2)20)12(8-17-9)16-19-14-7-11(21-3)4-5-15(14)22-16/h4-8H,1-3H3,(H,17,18,20).
What are the key properties of N-[5-(5-methoxy-1,3-benzothiazol-2-yl)-2-methyl-4-pyridinyl]acetamide?
N-[5-(5-methoxy-1,3-benzothiazol-2-yl)-2-methyl-4-pyridinyl]acetamide has a molecular weight of 313.38 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-methoxy-1,3-benzothiazol-2-yl)-2-methyl-4-pyridinyl]acetamide is sourced from PubChem (CID 134434330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).