2-(4-bromo-5-methylpyrazol-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide

C10H12BrN5OS — CID 4769712

IUPAC2-(4-bromo-5-methylpyrazol-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCc1nnc(NC(=O)C(C)n2ncc(Br)c2C)s1
InChIInChI=1S/C10H12BrN5OS/c1-5-8(11)4-12-16(5)6(2)9(17)13-10-15-14-7(3)18-10/h4,6H,1-3H3,(H,13,15,17)
InChIKeyCVFBGZKFWUCPSZ-UHFFFAOYSA-N
MW330.21 g/mol
LogP2.31
Rot. Bonds3

About 2-(4-bromo-5-methylpyrazol-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide

2-(4-bromo-5-methylpyrazol-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 4769712) has the molecular formula C10H12BrN5OS and a molecular weight of 330.21 g/mol. Its IUPAC name is 2-(4-bromo-5-methylpyrazol-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(4-bromo-5-methylpyrazol-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID4769712
Molecular FormulaC10H12BrN5OS
Molecular Weight330.21 g/mol
Exact Mass328.99
IUPAC Name2-(4-bromo-5-methylpyrazol-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCc1nnc(NC(=O)C(C)n2ncc(Br)c2C)s1
InChIInChI=1S/C10H12BrN5OS/c1-5-8(11)4-12-16(5)6(2)9(17)13-10-15-14-7(3)18-10/h4,6H,1-3H3,(H,13,15,17)
InChIKeyCVFBGZKFWUCPSZ-UHFFFAOYSA-N
XLogP2.31
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.21
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-methylpyrazol-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 2-(4-bromo-5-methylpyrazol-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide (CID 4769712) is 2-(4-bromo-5-methylpyrazol-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 2-(4-bromo-5-methylpyrazol-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 2-(4-bromo-5-methylpyrazol-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide is Cc1nnc(NC(=O)C(C)n2ncc(Br)c2C)s1.
What is the InChIKey of 2-(4-bromo-5-methylpyrazol-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is CVFBGZKFWUCPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN5OS/c1-5-8(11)4-12-16(5)6(2)9(17)13-10-15-14-7(3)18-10/h4,6H,1-3H3,(H,13,15,17).
What are the key properties of 2-(4-bromo-5-methylpyrazol-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
2-(4-bromo-5-methylpyrazol-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 330.21 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-methylpyrazol-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 4769712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).