4-methyl-N-(2-methylphenyl)-2-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide

C19H19N3OS — CID 110389448

IUPAC4-methyl-N-(2-methylphenyl)-2-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
SMILESCc1ccccc1NC(=O)c1sc(CCc2ccncc2)nc1C
InChIInChI=1S/C19H19N3OS/c1-13-5-3-4-6-16(13)22-19(23)18-14(2)21-17(24-18)8-7-15-9-11-20-12-10-15/h3-6,9-12H,7-8H2,1-2H3,(H,22,23)
InChIKeyCLFSZPYUIQKNCD-UHFFFAOYSA-N
MW337.45 g/mol
LogP4.19
Rot. Bonds5

About 4-methyl-N-(2-methylphenyl)-2-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide

4-methyl-N-(2-methylphenyl)-2-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide (PubChem CID 110389448) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is 4-methyl-N-(2-methylphenyl)-2-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(2-methylphenyl)-2-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
PubChem CID110389448
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC Name4-methyl-N-(2-methylphenyl)-2-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
SMILESCc1ccccc1NC(=O)c1sc(CCc2ccncc2)nc1C
InChIInChI=1S/C19H19N3OS/c1-13-5-3-4-6-16(13)22-19(23)18-14(2)21-17(24-18)8-7-15-9-11-20-12-10-15/h3-6,9-12H,7-8H2,1-2H3,(H,22,23)
InChIKeyCLFSZPYUIQKNCD-UHFFFAOYSA-N
XLogP4.19
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-propan-2-yl-2-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
CID 110389378
N-(4-ethoxyphenyl)-4-methyl-2-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
CID 110389468
4-methyl-N-(3-methylbutyl)-2-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
CID 110389441
4-methyl-2-(2-phenylethyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 110389706
azepan-1-yl-[4-methyl-2-(2-pyridin-4-ylethyl)-1,3-thiazol-5-yl]methanone
CID 110389446
[4-methyl-2-(2-pyridin-4-ylethyl)-1,3-thiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 110389428
N-(5-amino-2-methylphenyl)-4-methyl-2-propyl-1,3-thiazole-5-carboxamide
CID 120569197
4-methyl-2-[[(2-methylphenyl)carbamoylamino]methyl]-1,3-thiazole-5-carboxylic acid
CID 63630189
2-benzyl-4-methyl-N-[2-methyl-4-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide
CID 55705154
2-benzyl-4-methyl-N-(2-propan-2-yloxy-3-pyridinyl)-1,3-thiazole-5-carboxamide
CID 91641589
methyl 3-[(2-butyl-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-hydroxybenzoate
CID 56543406
4-methyl-N-(2-methylphenyl)-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide
CID 16897183

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methylphenyl)-2-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-(2-methylphenyl)-2-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide (CID 110389448) is 4-methyl-N-(2-methylphenyl)-2-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(2-methylphenyl)-2-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-(2-methylphenyl)-2-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide is Cc1ccccc1NC(=O)c1sc(CCc2ccncc2)nc1C.
What is the InChIKey of 4-methyl-N-(2-methylphenyl)-2-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is CLFSZPYUIQKNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-13-5-3-4-6-16(13)22-19(23)18-14(2)21-17(24-18)8-7-15-9-11-20-12-10-15/h3-6,9-12H,7-8H2,1-2H3,(H,22,23).
What are the key properties of 4-methyl-N-(2-methylphenyl)-2-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide?
4-methyl-N-(2-methylphenyl)-2-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 337.45 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methylphenyl)-2-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110389448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).