2-ethyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrazole-3-carboxamide

C20H18N4OS — CID 19475264

IUPAC2-ethyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1
InChIInChI=1S/C20H18N4OS/c1-3-24-17(10-11-21-24)19(25)22-15-7-5-14(6-8-15)20-23-16-9-4-13(2)12-18(16)26-20/h4-12H,3H2,1-2H3,(H,22,25)
InChIKeyKDGVJLCWUYJDAH-UHFFFAOYSA-N
MW362.46 g/mol
LogP4.74
Rot. Bonds4

About 2-ethyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrazole-3-carboxamide

2-ethyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrazole-3-carboxamide (PubChem CID 19475264) has the molecular formula C20H18N4OS and a molecular weight of 362.46 g/mol. Its IUPAC name is 2-ethyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrazole-3-carboxamide
PubChem CID19475264
Molecular FormulaC20H18N4OS
Molecular Weight362.46 g/mol
Exact Mass362.12
IUPAC Name2-ethyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1
InChIInChI=1S/C20H18N4OS/c1-3-24-17(10-11-21-24)19(25)22-15-7-5-14(6-8-15)20-23-16-9-4-13(2)12-18(16)26-20/h4-12H,3H2,1-2H3,(H,22,25)
InChIKeyKDGVJLCWUYJDAH-UHFFFAOYSA-N
XLogP4.74
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-1-ethyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrazole-3-carboxamide
CID 19263258
1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(4-methylphenyl)urea
CID 19165577
2-iodo-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
CID 5155423
4-chloro-1-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrazole-3-carboxamide
CID 19577847
5-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1,2-oxazole-3-carboxamide
CID 733388
4-(butanoylamino)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
CID 2952764
N-ethyl-N'-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]oxamide
CID 108521482
4-fluoro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
CID 1126404
4-amino-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
CID 58341983
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]naphthalene-1-carboxamide
CID 3100049
3,4-dichloro-N-[4-[6-(6-methyl-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-yl]phenyl]benzamide
CID 154464144
2-ethoxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
CID 2162977

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrazole-3-carboxamide?
The IUPAC name of 2-ethyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrazole-3-carboxamide (CID 19475264) is 2-ethyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-ethyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-ethyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrazole-3-carboxamide is CCn1nccc1C(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1.
What is the InChIKey of 2-ethyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrazole-3-carboxamide?
The InChIKey is KDGVJLCWUYJDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4OS/c1-3-24-17(10-11-21-24)19(25)22-15-7-5-14(6-8-15)20-23-16-9-4-13(2)12-18(16)26-20/h4-12H,3H2,1-2H3,(H,22,25).
What are the key properties of 2-ethyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrazole-3-carboxamide?
2-ethyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrazole-3-carboxamide has a molecular weight of 362.46 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19475264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).