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

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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).