2-(4-bromo-5-methylpyrazol-1-yl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide

C12H15BrN4OS — CID 4770994

IUPAC2-(4-bromo-5-methylpyrazol-1-yl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
SMILESCc1nc(NC(=O)C(C)n2ncc(Br)c2C)sc1C
InChIInChI=1S/C12H15BrN4OS/c1-6-9(4)19-12(15-6)16-11(18)8(3)17-7(2)10(13)5-14-17/h5,8H,1-4H3,(H,15,16,18)
InChIKeyHUPQFLBOVHQRSU-UHFFFAOYSA-N
MW343.25 g/mol
LogP3.23
Rot. Bonds3

About 2-(4-bromo-5-methylpyrazol-1-yl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide

2-(4-bromo-5-methylpyrazol-1-yl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide (PubChem CID 4770994) has the molecular formula C12H15BrN4OS and a molecular weight of 343.25 g/mol. Its IUPAC name is 2-(4-bromo-5-methylpyrazol-1-yl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(4-bromo-5-methylpyrazol-1-yl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
PubChem CID4770994
Molecular FormulaC12H15BrN4OS
Molecular Weight343.25 g/mol
Exact Mass342.01
IUPAC Name2-(4-bromo-5-methylpyrazol-1-yl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
SMILESCc1nc(NC(=O)C(C)n2ncc(Br)c2C)sc1C
InChIInChI=1S/C12H15BrN4OS/c1-6-9(4)19-12(15-6)16-11(18)8(3)17-7(2)10(13)5-14-17/h5,8H,1-4H3,(H,15,16,18)
InChIKeyHUPQFLBOVHQRSU-UHFFFAOYSA-N
XLogP3.23
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.25
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-bromo-5-methylpyrazol-1-yl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-1-methyl-N-(1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide
CID 903362
4-bromo-N-(5-bromo-1,3-thiazol-2-yl)-1-methyl-1H-pyrazole-3-carboxamide
CID 1028404
4-bromo-1-ethyl-N-(5-methyl-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide
CID 831994
4-bromo-1-ethyl-N-(1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide
CID 831420
4-bromo-2-ethyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide
CID 891968
2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-1,3-thiazol-2-ylpropanamide
CID 2981764
2-(4-bromo-5-methylpyrazol-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 4769712
N-(5-methyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 45147779
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 4772943
N-(5-bromo-1,3-thiazol-2-yl)-2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]pentanamide
CID 118118834
4-bromo-1-methyl-N-(1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide
CID 903238
N-(4-methyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 2438932

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-methylpyrazol-1-yl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-(4-bromo-5-methylpyrazol-1-yl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide (CID 4770994) is 2-(4-bromo-5-methylpyrazol-1-yl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-(4-bromo-5-methylpyrazol-1-yl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-(4-bromo-5-methylpyrazol-1-yl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide is Cc1nc(NC(=O)C(C)n2ncc(Br)c2C)sc1C.
What is the InChIKey of 2-(4-bromo-5-methylpyrazol-1-yl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is HUPQFLBOVHQRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4OS/c1-6-9(4)19-12(15-6)16-11(18)8(3)17-7(2)10(13)5-14-17/h5,8H,1-4H3,(H,15,16,18).
What are the key properties of 2-(4-bromo-5-methylpyrazol-1-yl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide?
2-(4-bromo-5-methylpyrazol-1-yl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 343.25 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-methylpyrazol-1-yl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 4770994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).