methyl 4-[[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoate

C18H16N4O3S — CID 90510028

IUPACmethyl 4-[[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2csc(Nc3cccc(C)n3)n2)cc1
InChIInChI=1S/C18H16N4O3S/c1-11-4-3-5-15(19-11)22-18-21-14(10-26-18)16(23)20-13-8-6-12(7-9-13)17(24)25-2/h3-10H,1-2H3,(H,20,23)(H,19,21,22)
InChIKeyGLCTWAFMCALETI-UHFFFAOYSA-N
MW368.42 g/mol
LogP3.63
Rot. Bonds5

About methyl 4-[[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoate

methyl 4-[[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoate (PubChem CID 90510028) has the molecular formula C18H16N4O3S and a molecular weight of 368.42 g/mol. Its IUPAC name is methyl 4-[[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoate
PubChem CID90510028
Molecular FormulaC18H16N4O3S
Molecular Weight368.42 g/mol
Exact Mass368.09
IUPAC Namemethyl 4-[[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2csc(Nc3cccc(C)n3)n2)cc1
InChIInChI=1S/C18H16N4O3S/c1-11-4-3-5-15(19-11)22-18-21-14(10-26-18)16(23)20-13-8-6-12(7-9-13)17(24)25-2/h3-10H,1-2H3,(H,20,23)(H,19,21,22)
InChIKeyGLCTWAFMCALETI-UHFFFAOYSA-N
XLogP3.63
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 4-[[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoate with MolForge

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Related Compounds

butyl 4-[[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoate
CID 90510030
N-(4-bromophenyl)-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide
CID 90510013
methyl 4-[(6-methylpyridine-2-carbonyl)amino]benzoate
CID 31703569
ethyl 2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxylate
CID 52903989
N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide
CID 90509929
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide
CID 90510075
N-(4-acetylphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide
CID 90506196
2-methyl-N-(6-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide
CID 47445423
N-[2-(2-methoxyphenyl)ethyl]-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide
CID 90509990
N-phenyl-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90509789
N-(2,6-dimethylphenyl)-2-[(6-ethyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide
CID 54273764
ethyl 2-[(4-methoxycarbonylphenyl)carbamoylamino]-1,3-thiazole-4-carboxylate
CID 23613697

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoate (CID 90510028) is methyl 4-[[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoate is COC(=O)c1ccc(NC(=O)c2csc(Nc3cccc(C)n3)n2)cc1.
What is the InChIKey of methyl 4-[[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoate?
The InChIKey is GLCTWAFMCALETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3S/c1-11-4-3-5-15(19-11)22-18-21-14(10-26-18)16(23)20-13-8-6-12(7-9-13)17(24)25-2/h3-10H,1-2H3,(H,20,23)(H,19,21,22).
What are the key properties of methyl 4-[[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoate?
methyl 4-[[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoate has a molecular weight of 368.42 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoate is sourced from PubChem (CID 90510028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).