N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-4-methoxybenzamide

C19H16N4O2S — CID 2352185

IUPACN-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(C)nn2-c2nc3ccccc3s2)cc1
InChIInChI=1S/C19H16N4O2S/c1-12-11-17(21-18(24)13-7-9-14(25-2)10-8-13)23(22-12)19-20-15-5-3-4-6-16(15)26-19/h3-11H,1-2H3,(H,21,24)
InChIKeyXGODWLPMVXYCDI-UHFFFAOYSA-N
MW364.43 g/mol
LogP4.05
Rot. Bonds4

About N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-4-methoxybenzamide

N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-4-methoxybenzamide (PubChem CID 2352185) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-4-methoxybenzamide
PubChem CID2352185
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC NameN-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(C)nn2-c2nc3ccccc3s2)cc1
InChIInChI=1S/C19H16N4O2S/c1-12-11-17(21-18(24)13-7-9-14(25-2)10-8-13)23(22-12)19-20-15-5-3-4-6-16(15)26-19/h3-11H,1-2H3,(H,21,24)
InChIKeyXGODWLPMVXYCDI-UHFFFAOYSA-N
XLogP4.05
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-Benzothiazol-2-YL)-4-methoxybenzamide
CID 675912
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
N-(1,3-benzothiazol-2-yl)-N'-(4-propoxybenzoyl)thiourea
CID 1719089
N-(4-methoxybenzo[d]thiazol-2-yl)-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 3236395
N-(1,3-benzothiazol-2-yl)-2-{[3-(4-ethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}acetamide
CID 12005916
N-(1,3-Benzothiazol-2-YL)-4-ethoxybenzamide
CID 673613
4-isopropoxy-N-{[(6-methyl-1,3-benzothiazol-2-yl)amino]carbonothioyl}benzamide
CID 1339460
N-(1,3-benzothiazol-2-yl)-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetamide
CID 2196287
N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-2,3,5,6-tetrafluoro-4-methoxybenzamide
CID 2236478
4-(3,5-dimethylpyrazol-1-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 2354012
N-[1-[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]-4-methoxybenzamide
CID 2977544
4-methoxy-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)benzamide
CID 4582891

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-4-methoxybenzamide?
The IUPAC name of N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-4-methoxybenzamide (CID 2352185) is N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-4-methoxybenzamide?
The canonical SMILES for N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2cc(C)nn2-c2nc3ccccc3s2)cc1.
What is the InChIKey of N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-4-methoxybenzamide?
The InChIKey is XGODWLPMVXYCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c1-12-11-17(21-18(24)13-7-9-14(25-2)10-8-13)23(22-12)19-20-15-5-3-4-6-16(15)26-19/h3-11H,1-2H3,(H,21,24).
What are the key properties of N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-4-methoxybenzamide?
N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-4-methoxybenzamide has a molecular weight of 364.43 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-4-methoxybenzamide is sourced from PubChem (CID 2352185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).