methyl 5-(3-methylphenyl)-2-[(3-methylpyridine-4-carbonyl)amino]-1,3-thiazole-4-carboxylate

C19H17N3O3S — CID 147548466

IUPACmethyl 5-(3-methylphenyl)-2-[(3-methylpyridine-4-carbonyl)amino]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(NC(=O)c2ccncc2C)sc1-c1cccc(C)c1
InChIInChI=1S/C19H17N3O3S/c1-11-5-4-6-13(9-11)16-15(18(24)25-3)21-19(26-16)22-17(23)14-7-8-20-10-12(14)2/h4-10H,1-3H3,(H,21,22,23)
InChIKeyFQHLOFOUILQEFA-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.86
Rot. Bonds4

About methyl 5-(3-methylphenyl)-2-[(3-methylpyridine-4-carbonyl)amino]-1,3-thiazole-4-carboxylate

methyl 5-(3-methylphenyl)-2-[(3-methylpyridine-4-carbonyl)amino]-1,3-thiazole-4-carboxylate (PubChem CID 147548466) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is methyl 5-(3-methylphenyl)-2-[(3-methylpyridine-4-carbonyl)amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-(3-methylphenyl)-2-[(3-methylpyridine-4-carbonyl)amino]-1,3-thiazole-4-carboxylate
PubChem CID147548466
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC Namemethyl 5-(3-methylphenyl)-2-[(3-methylpyridine-4-carbonyl)amino]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(NC(=O)c2ccncc2C)sc1-c1cccc(C)c1
InChIInChI=1S/C19H17N3O3S/c1-11-5-4-6-13(9-11)16-15(18(24)25-3)21-19(26-16)22-17(23)14-7-8-20-10-12(14)2/h4-10H,1-3H3,(H,21,22,23)
InChIKeyFQHLOFOUILQEFA-UHFFFAOYSA-N
XLogP3.86
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[(3-methylpyridine-4-carbonyl)amino]-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate;hydrochloride
CID 86761875
2-[(3-methylpyridine-4-carbonyl)amino]-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylic acid;hydrochloride
CID 87769243
methyl 2-ethyl-5-(3-methylphenyl)-1,3-thiazole-4-carboxylate
CID 123763604
methyl 2-[(dimethylamino)methyl]-5-(3-methylphenyl)-1,3-thiazole-4-carboxylate
CID 67232095
2,6-difluoro-N-[4-methoxy-5-(3-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 90145514
methyl 2-amino-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate;methyl 2-[(2,6-difluorobenzoyl)amino]-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate
CID 159602800
methyl 5-methyl-2-(3-methylphenyl)-1,3-thiazole-4-carboxylate
CID 22494233
methyl 2-[[(E)-4-ethoxy-4-hydroxybut-2-enoyl]amino]-5-phenyl-1,3-thiazole-4-carboxylate
CID 166658387
N-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)-2-oxochromene-3-carboxamide
CID 110665891
methyl 5-methyl-2-[(3-methyl-4-pyridinyl)methylamino]-1,3-thiazole-4-carboxylate
CID 114702175
methyl 2-bromo-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate
CID 66844262
3-methyl-N-[4-(2-methyl-5-methylperoxythiophen-3-yl)phenyl]pyridine-4-carboxamide
CID 143518217

Frequently Asked Questions

What is the IUPAC name of methyl 5-(3-methylphenyl)-2-[(3-methylpyridine-4-carbonyl)amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-(3-methylphenyl)-2-[(3-methylpyridine-4-carbonyl)amino]-1,3-thiazole-4-carboxylate (CID 147548466) is methyl 5-(3-methylphenyl)-2-[(3-methylpyridine-4-carbonyl)amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-(3-methylphenyl)-2-[(3-methylpyridine-4-carbonyl)amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-(3-methylphenyl)-2-[(3-methylpyridine-4-carbonyl)amino]-1,3-thiazole-4-carboxylate is COC(=O)c1nc(NC(=O)c2ccncc2C)sc1-c1cccc(C)c1.
What is the InChIKey of methyl 5-(3-methylphenyl)-2-[(3-methylpyridine-4-carbonyl)amino]-1,3-thiazole-4-carboxylate?
The InChIKey is FQHLOFOUILQEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-11-5-4-6-13(9-11)16-15(18(24)25-3)21-19(26-16)22-17(23)14-7-8-20-10-12(14)2/h4-10H,1-3H3,(H,21,22,23).
What are the key properties of methyl 5-(3-methylphenyl)-2-[(3-methylpyridine-4-carbonyl)amino]-1,3-thiazole-4-carboxylate?
methyl 5-(3-methylphenyl)-2-[(3-methylpyridine-4-carbonyl)amino]-1,3-thiazole-4-carboxylate has a molecular weight of 367.43 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(3-methylphenyl)-2-[(3-methylpyridine-4-carbonyl)amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 147548466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).