N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide

C22H21N5O2S — CID 108738299

IUPACN-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCOc1ccc(-c2nc(NC(=O)c3cnn(-c4ccccn4)c3C)sc2C)cc1C
InChIInChI=1S/C22H21N5O2S/c1-13-11-16(8-9-18(13)29-4)20-15(3)30-22(25-20)26-21(28)17-12-24-27(14(17)2)19-7-5-6-10-23-19/h5-12H,1-4H3,(H,25,26,28)
InChIKeyJFUHGTUABUQLOO-UHFFFAOYSA-N
MW419.51 g/mol
LogP4.58
Rot. Bonds5

About N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide

N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide (PubChem CID 108738299) has the molecular formula C22H21N5O2S and a molecular weight of 419.51 g/mol. Its IUPAC name is N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
PubChem CID108738299
Molecular FormulaC22H21N5O2S
Molecular Weight419.51 g/mol
Exact Mass419.14
IUPAC NameN-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCOc1ccc(-c2nc(NC(=O)c3cnn(-c4ccccn4)c3C)sc2C)cc1C
InChIInChI=1S/C22H21N5O2S/c1-13-11-16(8-9-18(13)29-4)20-15(3)30-22(25-20)26-21(28)17-12-24-27(14(17)2)19-7-5-6-10-23-19/h5-12H,1-4H3,(H,25,26,28)
InChIKeyJFUHGTUABUQLOO-UHFFFAOYSA-N
XLogP4.58
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 1347169
5-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 39102158
N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(dimethylamino)pyridine-3-carboxamide
CID 48998095
N-(6-chloro-1,3-benzothiazol-2-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 108739126
2,2,2-trichloro-N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 108738227
N-(6-ethyl-1,3-benzothiazol-2-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 39092966
N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-3,3-diphenylpropanamide
CID 108738339
[3-[[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]phenyl] acetate
CID 108761036
N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide
CID 108761076
methyl 2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]benzoate
CID 15944141
N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 108738200
prop-2-enyl 4-methyl-2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]-1,3-thiazole-5-carboxylate
CID 108793434

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide (CID 108738299) is N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide is COc1ccc(-c2nc(NC(=O)c3cnn(-c4ccccn4)c3C)sc2C)cc1C.
What is the InChIKey of N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide?
The InChIKey is JFUHGTUABUQLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2S/c1-13-11-16(8-9-18(13)29-4)20-15(3)30-22(25-20)26-21(28)17-12-24-27(14(17)2)19-7-5-6-10-23-19/h5-12H,1-4H3,(H,25,26,28).
What are the key properties of N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide?
N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide has a molecular weight of 419.51 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 108738299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).