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

C8H8BrN5OS — CID 62081401

IUPAC4-amino-N-(5-bromo-1,3-thiazol-2-yl)-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)Nc2ncc(Br)s2)c1N
InChIInChI=1S/C8H8BrN5OS/c1-3-5(10)6(14-13-3)7(15)12-8-11-2-4(9)16-8/h2H,10H2,1H3,(H,13,14)(H,11,12,15)
InChIKeyNLLCQFWBFNTHSC-UHFFFAOYSA-N
MW302.16 g/mol
LogP1.77
Rot. Bonds2

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

4-amino-N-(5-bromo-1,3-thiazol-2-yl)-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 62081401) has the molecular formula C8H8BrN5OS and a molecular weight of 302.16 g/mol. Its IUPAC name is 4-amino-N-(5-bromo-1,3-thiazol-2-yl)-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(5-bromo-1,3-thiazol-2-yl)-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID62081401
Molecular FormulaC8H8BrN5OS
Molecular Weight302.16 g/mol
Exact Mass300.96
IUPAC Name4-amino-N-(5-bromo-1,3-thiazol-2-yl)-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)Nc2ncc(Br)s2)c1N
InChIInChI=1S/C8H8BrN5OS/c1-3-5(10)6(14-13-3)7(15)12-8-11-2-4(9)16-8/h2H,10H2,1H3,(H,13,14)(H,11,12,15)
InChIKeyNLLCQFWBFNTHSC-UHFFFAOYSA-N
XLogP1.77
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.16
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-bromo-1,3-thiazol-2-yl)-1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 4769965
N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 35591592
N-(5-bromo-1,3-thiazol-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 39854319
5-methyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide
CID 22170878
N-(5-bromo-1,3-thiazol-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 66120072
N-(5-bromo-1,3-thiazol-2-yl)-1,5-dimethyl-4-nitro-1H-pyrazole-3-carboxamide
CID 19578055
5-methyl-N-(1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide
CID 24744458
N-(5-bromo-1,3-thiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide
CID 35324536
4-bromo-1,5-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide
CID 35522352
4-bromo-1,5-dimethyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide
CID 39735327
3,5-dimethyl-N-(1,3-thiazol-2-yl)-1H-pyrazole-4-carboxamide
CID 43582297
3,5-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)-1H-pyrazole-4-carboxamide
CID 43582605

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-bromo-1,3-thiazol-2-yl)-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(5-bromo-1,3-thiazol-2-yl)-5-methyl-1H-pyrazole-3-carboxamide (CID 62081401) is 4-amino-N-(5-bromo-1,3-thiazol-2-yl)-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(5-bromo-1,3-thiazol-2-yl)-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(5-bromo-1,3-thiazol-2-yl)-5-methyl-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)Nc2ncc(Br)s2)c1N.
What is the InChIKey of 4-amino-N-(5-bromo-1,3-thiazol-2-yl)-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is NLLCQFWBFNTHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN5OS/c1-3-5(10)6(14-13-3)7(15)12-8-11-2-4(9)16-8/h2H,10H2,1H3,(H,13,14)(H,11,12,15).
What are the key properties of 4-amino-N-(5-bromo-1,3-thiazol-2-yl)-5-methyl-1H-pyrazole-3-carboxamide?
4-amino-N-(5-bromo-1,3-thiazol-2-yl)-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 302.16 g/mol, XLogP of 1.77, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-bromo-1,3-thiazol-2-yl)-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62081401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).