5-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1-pyridin-2-ylpyrazole-4-carboxamide

C15H16N6OS — CID 39102158

IUPAC5-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2nnc(C(C)C)s2)cnn1-c1ccccn1
InChIInChI=1S/C15H16N6OS/c1-9(2)14-19-20-15(23-14)18-13(22)11-8-17-21(10(11)3)12-6-4-5-7-16-12/h4-9H,1-3H3,(H,18,20,22)
InChIKeyOVTSKLPHPQHWHJ-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.80
Rot. Bonds4

About 5-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1-pyridin-2-ylpyrazole-4-carboxamide

5-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1-pyridin-2-ylpyrazole-4-carboxamide (PubChem CID 39102158) has the molecular formula C15H16N6OS and a molecular weight of 328.40 g/mol. Its IUPAC name is 5-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1-pyridin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1-pyridin-2-ylpyrazole-4-carboxamide
PubChem CID39102158
Molecular FormulaC15H16N6OS
Molecular Weight328.40 g/mol
Exact Mass328.11
IUPAC Name5-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2nnc(C(C)C)s2)cnn1-c1ccccn1
InChIInChI=1S/C15H16N6OS/c1-9(2)14-19-20-15(23-14)18-13(22)11-8-17-21(10(11)3)12-6-4-5-7-16-12/h4-9H,1-3H3,(H,18,20,22)
InChIKeyOVTSKLPHPQHWHJ-UHFFFAOYSA-N
XLogP2.80
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1-pyridin-2-ylpyrazole-4-carboxamide 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

5-methyl-1-pyridin-2-ylpyrazole-4-carbohydrazide
CID 10998462
methyl 2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]benzoate
CID 15944141
2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]propanoic acid
CID 108793355
N-(6-ethyl-1,3-benzothiazol-2-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 39092966
5-methyl-N-[4-(3-methylbutanoylamino)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 46546318
N-butan-2-yl-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 108793345
N-(2-fluorophenyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 15944125
N-(6-chloro-1,3-benzothiazol-2-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 108739126
5-methyl-1-pyridin-2-yl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide
CID 15944140
prop-2-enyl 4-methyl-2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]-1,3-thiazole-5-carboxylate
CID 108793434
methyl 2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CID 55762983
N-tert-butyl-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 47166966

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1-pyridin-2-ylpyrazole-4-carboxamide?
The IUPAC name of 5-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1-pyridin-2-ylpyrazole-4-carboxamide (CID 39102158) is 5-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1-pyridin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1-pyridin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1-pyridin-2-ylpyrazole-4-carboxamide is Cc1c(C(=O)Nc2nnc(C(C)C)s2)cnn1-c1ccccn1.
What is the InChIKey of 5-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1-pyridin-2-ylpyrazole-4-carboxamide?
The InChIKey is OVTSKLPHPQHWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6OS/c1-9(2)14-19-20-15(23-14)18-13(22)11-8-17-21(10(11)3)12-6-4-5-7-16-12/h4-9H,1-3H3,(H,18,20,22).
What are the key properties of 5-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1-pyridin-2-ylpyrazole-4-carboxamide?
5-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1-pyridin-2-ylpyrazole-4-carboxamide has a molecular weight of 328.40 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1-pyridin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 39102158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).