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

C15H15BrN4OS — CID 56564360

IUPAC4-bromo-N-(4-methyl-1,3-benzothiazol-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCc1cccc2sc(NC(=O)c3n[nH]c(C(C)C)c3Br)nc12
InChIInChI=1S/C15H15BrN4OS/c1-7(2)11-10(16)13(20-19-11)14(21)18-15-17-12-8(3)5-4-6-9(12)22-15/h4-7H,1-3H3,(H,19,20)(H,17,18,21)
InChIKeyILKAHNDZWUILOH-UHFFFAOYSA-N
MW379.28 g/mol
LogP4.47
Rot. Bonds3

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

4-bromo-N-(4-methyl-1,3-benzothiazol-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 56564360) has the molecular formula C15H15BrN4OS and a molecular weight of 379.28 g/mol. Its IUPAC name is 4-bromo-N-(4-methyl-1,3-benzothiazol-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(4-methyl-1,3-benzothiazol-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID56564360
Molecular FormulaC15H15BrN4OS
Molecular Weight379.28 g/mol
Exact Mass378.01
IUPAC Name4-bromo-N-(4-methyl-1,3-benzothiazol-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCc1cccc2sc(NC(=O)c3n[nH]c(C(C)C)c3Br)nc12
InChIInChI=1S/C15H15BrN4OS/c1-7(2)11-10(16)13(20-19-11)14(21)18-15-17-12-8(3)5-4-6-9(12)22-15/h4-7H,1-3H3,(H,19,20)(H,17,18,21)
InChIKeyILKAHNDZWUILOH-UHFFFAOYSA-N
XLogP4.47
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.28
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1H-pyrazole-3-carboxamide
CID 47293501
3-amino-N-(4-methyl-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide
CID 18138512
2-hydroxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 18126545
4-bromo-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56564681
2,2,2-trifluoro-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 34555190
(2S)-2-amino-3-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)butanamide;hydrochloride
CID 119266077
4-acetamido-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 974126
2,4,5-trimethyl-N-(4-methyl-1,3-benzothiazol-2-yl)furan-3-carboxamide
CID 35871795
methyl 2-[(4-methyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate
CID 43952216
N-(4-methyl-1,3-benzothiazol-2-yl)-2-(trifluoromethyl)pyrimidine-5-carboxamide
CID 167869882
5-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119679553
N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 16938385

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-methyl-1,3-benzothiazol-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-bromo-N-(4-methyl-1,3-benzothiazol-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 56564360) is 4-bromo-N-(4-methyl-1,3-benzothiazol-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-N-(4-methyl-1,3-benzothiazol-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-N-(4-methyl-1,3-benzothiazol-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide is Cc1cccc2sc(NC(=O)c3n[nH]c(C(C)C)c3Br)nc12.
What is the InChIKey of 4-bromo-N-(4-methyl-1,3-benzothiazol-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is ILKAHNDZWUILOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN4OS/c1-7(2)11-10(16)13(20-19-11)14(21)18-15-17-12-8(3)5-4-6-9(12)22-15/h4-7H,1-3H3,(H,19,20)(H,17,18,21).
What are the key properties of 4-bromo-N-(4-methyl-1,3-benzothiazol-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
4-bromo-N-(4-methyl-1,3-benzothiazol-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 379.28 g/mol, XLogP of 4.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-methyl-1,3-benzothiazol-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 56564360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).