N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]-6-pyrazol-1-ylpyridine-3-carboxamide

C20H18N6OS — CID 55522660

IUPACN-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]-6-pyrazol-1-ylpyridine-3-carboxamide
SMILESCC(C)c1ccc(-c2nnc(NC(=O)c3ccc(-n4cccn4)nc3)s2)cc1
InChIInChI=1S/C20H18N6OS/c1-13(2)14-4-6-15(7-5-14)19-24-25-20(28-19)23-18(27)16-8-9-17(21-12-16)26-11-3-10-22-26/h3-13H,1-2H3,(H,23,25,27)
InChIKeyHARXVELDQZZYGL-UHFFFAOYSA-N
MW390.47 g/mol
LogP4.16
Rot. Bonds5

About N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]-6-pyrazol-1-ylpyridine-3-carboxamide

N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]-6-pyrazol-1-ylpyridine-3-carboxamide (PubChem CID 55522660) has the molecular formula C20H18N6OS and a molecular weight of 390.47 g/mol. Its IUPAC name is N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]-6-pyrazol-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]-6-pyrazol-1-ylpyridine-3-carboxamide
PubChem CID55522660
Molecular FormulaC20H18N6OS
Molecular Weight390.47 g/mol
Exact Mass390.13
IUPAC NameN-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]-6-pyrazol-1-ylpyridine-3-carboxamide
SMILESCC(C)c1ccc(-c2nnc(NC(=O)c3ccc(-n4cccn4)nc3)s2)cc1
InChIInChI=1S/C20H18N6OS/c1-13(2)14-4-6-15(7-5-14)19-24-25-20(28-19)23-18(27)16-8-9-17(21-12-16)26-11-3-10-22-26/h3-13H,1-2H3,(H,23,25,27)
InChIKeyHARXVELDQZZYGL-UHFFFAOYSA-N
XLogP4.16
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-6-pyrazol-1-ylpyridine-3-carboxamide
CID 3758867
4-(methylsulfanylmethyl)-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 18275341
2-oxo-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]-1H-pyridine-4-carboxamide
CID 75380502
1-oxido-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]pyridin-1-ium-4-carboxamide
CID 75363244
N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 17397231
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-propan-2-ylbenzamide
CID 848587
6-chloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 27991303
4-fluoro-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 741034
methyl 3-(4-methylphenyl)-3-[(6-pyrazol-1-ylpyridine-3-carbonyl)amino]propanoate
CID 55532033
4-propan-2-yl-N-(2-pyrazol-1-ylphenyl)benzamide
CID 47045211
N-(3-fluorophenyl)-6-pyrazol-1-ylpyridine-3-carboxamide
CID 16654238
1-benzyl-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]triazole-4-carboxamide
CID 24620826

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]-6-pyrazol-1-ylpyridine-3-carboxamide?
The IUPAC name of N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]-6-pyrazol-1-ylpyridine-3-carboxamide (CID 55522660) is N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]-6-pyrazol-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]-6-pyrazol-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]-6-pyrazol-1-ylpyridine-3-carboxamide is CC(C)c1ccc(-c2nnc(NC(=O)c3ccc(-n4cccn4)nc3)s2)cc1.
What is the InChIKey of N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]-6-pyrazol-1-ylpyridine-3-carboxamide?
The InChIKey is HARXVELDQZZYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6OS/c1-13(2)14-4-6-15(7-5-14)19-24-25-20(28-19)23-18(27)16-8-9-17(21-12-16)26-11-3-10-22-26/h3-13H,1-2H3,(H,23,25,27).
What are the key properties of N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]-6-pyrazol-1-ylpyridine-3-carboxamide?
N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]-6-pyrazol-1-ylpyridine-3-carboxamide has a molecular weight of 390.47 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]-6-pyrazol-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 55522660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).