4-(3,5-dimethylpyrazol-1-yl)-N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]benzamide

C19H18N6OS — CID 46978140

IUPAC4-(3,5-dimethylpyrazol-1-yl)-N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)Nc3nc(-c4cnn(C)c4)cs3)cc2)n1
InChIInChI=1S/C19H18N6OS/c1-12-8-13(2)25(23-12)16-6-4-14(5-7-16)18(26)22-19-21-17(11-27-19)15-9-20-24(3)10-15/h4-11H,1-3H3,(H,21,22,26)
InChIKeyKDTCNOUCFYDKHU-UHFFFAOYSA-N
MW378.46 g/mol
LogP3.60
Rot. Bonds4

About 4-(3,5-dimethylpyrazol-1-yl)-N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]benzamide

4-(3,5-dimethylpyrazol-1-yl)-N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]benzamide (PubChem CID 46978140) has the molecular formula C19H18N6OS and a molecular weight of 378.46 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]benzamide
PubChem CID46978140
Molecular FormulaC19H18N6OS
Molecular Weight378.46 g/mol
Exact Mass378.13
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)Nc3nc(-c4cnn(C)c4)cs3)cc2)n1
InChIInChI=1S/C19H18N6OS/c1-12-8-13(2)25(23-12)16-6-4-14(5-7-16)18(26)22-19-21-17(11-27-19)15-9-20-24(3)10-15/h4-11H,1-3H3,(H,21,22,26)
InChIKeyKDTCNOUCFYDKHU-UHFFFAOYSA-N
XLogP3.60
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(3,5-dimethylpyrazol-1-yl)-3-fluoro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 75467497
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-1-methylpyrazole-4-carboxamide
CID 18127706
3-ethyl-N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 167850294
N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-2-pyridin-2-ylquinoline-4-carboxamide
CID 46975756
trans-(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 99810914
N-(6-acetamido-1,3-benzothiazol-2-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 134046171
2,5-dimethyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)pyrazole-3-carboxamide
CID 16952767
N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 70740816
4-chloro-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]benzamide
CID 34846987
4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylphenyl)benzamide
CID 2354201
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2,5-dimethylpyrazole-3-carboxamide
CID 16809683
1-(4-chlorophenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-6-methyl-4-oxopyridazine-3-carboxamide
CID 27668529

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]benzamide (CID 46978140) is 4-(3,5-dimethylpyrazol-1-yl)-N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]benzamide is Cc1cc(C)n(-c2ccc(C(=O)Nc3nc(-c4cnn(C)c4)cs3)cc2)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is KDTCNOUCFYDKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6OS/c1-12-8-13(2)25(23-12)16-6-4-14(5-7-16)18(26)22-19-21-17(11-27-19)15-9-20-24(3)10-15/h4-11H,1-3H3,(H,21,22,26).
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]benzamide?
4-(3,5-dimethylpyrazol-1-yl)-N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 378.46 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 46978140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).