2-ethyl-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide

C21H21N5O2S — CID 42111294

IUPAC2-ethyl-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)N(Cc1ccccn1)c1nc2c(OC)ccc(C)c2s1
InChIInChI=1S/C21H21N5O2S/c1-4-26-16(10-12-23-26)20(27)25(13-15-7-5-6-11-22-15)21-24-18-17(28-3)9-8-14(2)19(18)29-21/h5-12H,4,13H2,1-3H3
InChIKeyXTSVTCAUGAAMKF-UHFFFAOYSA-N
MW407.50 g/mol
LogP4.07
Rot. Bonds6

About 2-ethyl-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide

2-ethyl-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide (PubChem CID 42111294) has the molecular formula C21H21N5O2S and a molecular weight of 407.50 g/mol. Its IUPAC name is 2-ethyl-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
PubChem CID42111294
Molecular FormulaC21H21N5O2S
Molecular Weight407.50 g/mol
Exact Mass407.14
IUPAC Name2-ethyl-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)N(Cc1ccccn1)c1nc2c(OC)ccc(C)c2s1
InChIInChI=1S/C21H21N5O2S/c1-4-26-16(10-12-23-26)20(27)25(13-15-7-5-6-11-22-15)21-24-18-17(28-3)9-8-14(2)19(18)29-21/h5-12H,4,13H2,1-3H3
InChIKeyXTSVTCAUGAAMKF-UHFFFAOYSA-N
XLogP4.07
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)quinoxaline-2-carboxamide
CID 43987472
N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-2-methylsulfanyl-N-(pyridin-2-ylmethyl)benzamide
CID 18577407
5-bromo-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 18582207
2-ethylsulfanyl-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 41047599
3,4-difluoro-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 43986008
3-fluoro-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 40519412
N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-2-(2,4,6-trimethylphenyl)acetamide
CID 41343122
N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide
CID 43988182
N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-5-nitro-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 41056445
N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 16831138
N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-3-phenoxy-N-(pyridin-2-ylmethyl)benzamide
CID 41056473
N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-1H-indole-3-carboxamide
CID 43987452

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide?
The IUPAC name of 2-ethyl-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide (CID 42111294) is 2-ethyl-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 2-ethyl-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for 2-ethyl-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide is CCn1nccc1C(=O)N(Cc1ccccn1)c1nc2c(OC)ccc(C)c2s1.
What is the InChIKey of 2-ethyl-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is XTSVTCAUGAAMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2S/c1-4-26-16(10-12-23-26)20(27)25(13-15-7-5-6-11-22-15)21-24-18-17(28-3)9-8-14(2)19(18)29-21/h5-12H,4,13H2,1-3H3.
What are the key properties of 2-ethyl-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide?
2-ethyl-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 407.50 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 42111294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).