4-bromo-1-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-5-carboxamide

C14H13BrN4OS — CID 19476680

IUPAC4-bromo-1-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-5-carboxamide
SMILESCCn1ncc(Br)c1C(=O)Nc1nc2ccc(C)cc2s1
InChIInChI=1S/C14H13BrN4OS/c1-3-19-12(9(15)7-16-19)13(20)18-14-17-10-5-4-8(2)6-11(10)21-14/h4-7H,3H2,1-2H3,(H,17,18,20)
InChIKeyOOBICPVSGBOWLY-UHFFFAOYSA-N
MW365.26 g/mol
LogP3.84
Rot. Bonds3

About 4-bromo-1-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-5-carboxamide

4-bromo-1-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-5-carboxamide (PubChem CID 19476680) has the molecular formula C14H13BrN4OS and a molecular weight of 365.26 g/mol. Its IUPAC name is 4-bromo-1-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-1-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-5-carboxamide
PubChem CID19476680
Molecular FormulaC14H13BrN4OS
Molecular Weight365.26 g/mol
Exact Mass364.00
IUPAC Name4-bromo-1-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-5-carboxamide
SMILESCCn1ncc(Br)c1C(=O)Nc1nc2ccc(C)cc2s1
InChIInChI=1S/C14H13BrN4OS/c1-3-19-12(9(15)7-16-19)13(20)18-14-17-10-5-4-8(2)6-11(10)21-14/h4-7H,3H2,1-2H3,(H,17,18,20)
InChIKeyOOBICPVSGBOWLY-UHFFFAOYSA-N
XLogP3.84
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromo-5-methylpyrazol-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 19517786
4-chloro-1-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-5-carboxamide
CID 19475855
1-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzotriazole-5-carboxamide
CID 31289238
4-bromo-3-hydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 103830434
5-bromo-N-(6-methyl-1,3-benzothiazol-2-yl)-2-propylsulfonylpyrimidine-4-carboxamide
CID 35181660
3-amino-4-bromo-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 61091774
3-bromo-5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 107951417
N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]-1-ethyl-4-nitropyrazole-5-carboxamide
CID 19476515
(2S)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide
CID 681042
2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 43952298
3-(4-chloro-5-methylpyrazol-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
CID 19552362
1-ethyl-N-(6-ethyl-1,3-benzothiazol-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 51130973

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-5-carboxamide?
The IUPAC name of 4-bromo-1-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-5-carboxamide (CID 19476680) is 4-bromo-1-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-bromo-1-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-5-carboxamide?
The canonical SMILES for 4-bromo-1-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-5-carboxamide is CCn1ncc(Br)c1C(=O)Nc1nc2ccc(C)cc2s1.
What is the InChIKey of 4-bromo-1-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-5-carboxamide?
The InChIKey is OOBICPVSGBOWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4OS/c1-3-19-12(9(15)7-16-19)13(20)18-14-17-10-5-4-8(2)6-11(10)21-14/h4-7H,3H2,1-2H3,(H,17,18,20).
What are the key properties of 4-bromo-1-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-5-carboxamide?
4-bromo-1-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-5-carboxamide has a molecular weight of 365.26 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 19476680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).