methyl 5-methyl-2-[[2-phenyl-2-(pyridine-3-carbonylamino)acetyl]amino]-1,3-thiazole-4-carboxylate

C20H18N4O4S — CID 75356599

IUPACmethyl 5-methyl-2-[[2-phenyl-2-(pyridine-3-carbonylamino)acetyl]amino]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(NC(=O)C(NC(=O)c2cccnc2)c2ccccc2)sc1C
InChIInChI=1S/C20H18N4O4S/c1-12-15(19(27)28-2)23-20(29-12)24-18(26)16(13-7-4-3-5-8-13)22-17(25)14-9-6-10-21-11-14/h3-11,16H,1-2H3,(H,22,25)(H,23,24,26)
InChIKeySVUYVUCGCXNQHU-UHFFFAOYSA-N
MW410.46 g/mol
LogP2.74
Rot. Bonds6

About methyl 5-methyl-2-[[2-phenyl-2-(pyridine-3-carbonylamino)acetyl]amino]-1,3-thiazole-4-carboxylate

methyl 5-methyl-2-[[2-phenyl-2-(pyridine-3-carbonylamino)acetyl]amino]-1,3-thiazole-4-carboxylate (PubChem CID 75356599) has the molecular formula C20H18N4O4S and a molecular weight of 410.46 g/mol. Its IUPAC name is methyl 5-methyl-2-[[2-phenyl-2-(pyridine-3-carbonylamino)acetyl]amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-2-[[2-phenyl-2-(pyridine-3-carbonylamino)acetyl]amino]-1,3-thiazole-4-carboxylate
PubChem CID75356599
Molecular FormulaC20H18N4O4S
Molecular Weight410.46 g/mol
Exact Mass410.10
IUPAC Namemethyl 5-methyl-2-[[2-phenyl-2-(pyridine-3-carbonylamino)acetyl]amino]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(NC(=O)C(NC(=O)c2cccnc2)c2ccccc2)sc1C
InChIInChI=1S/C20H18N4O4S/c1-12-15(19(27)28-2)23-20(29-12)24-18(26)16(13-7-4-3-5-8-13)22-17(25)14-9-6-10-21-11-14/h3-11,16H,1-2H3,(H,22,25)(H,23,24,26)
InChIKeySVUYVUCGCXNQHU-UHFFFAOYSA-N
XLogP2.74
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.46
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 5-methyl-2-[[(2S)-2-phenyl-2-(tetrazol-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate
CID 71829082
N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 693380
N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide;hydrochloride
CID 110756954
N-[2-(benzenecarboximidoylamino)-2-oxo-1-phenylethyl]pyridine-3-carboxamide
CID 140801880
N-[(S)-(2-methylphenyl)-phenylmethyl]pyridine-3-carboxamide
CID 100628969
N-[(4-methylphenyl)-phenylmethyl]pyridine-3-carboxamide
CID 51151137
5-methyl-2-(1-pyridin-3-ylethylamino)-1,3-thiazole-4-carboxylic acid
CID 115423528
dimethyl 3-methyl-5-(pyridine-3-carbonylamino)thiophene-2,4-dicarboxylate
CID 896695
methyl 4-ethyl-5-methyl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylate
CID 807614
(111C)methyl pyridine-3-carboxylate
CID 11309537
4-methoxy-N-[phenyl(pyridin-3-yl)methyl]benzamide
CID 20896997
N-[(3,4-dimethylphenyl)-phenylmethyl]pyridine-3-carboxamide
CID 43010004

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-2-[[2-phenyl-2-(pyridine-3-carbonylamino)acetyl]amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-methyl-2-[[2-phenyl-2-(pyridine-3-carbonylamino)acetyl]amino]-1,3-thiazole-4-carboxylate (CID 75356599) is methyl 5-methyl-2-[[2-phenyl-2-(pyridine-3-carbonylamino)acetyl]amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-methyl-2-[[2-phenyl-2-(pyridine-3-carbonylamino)acetyl]amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-methyl-2-[[2-phenyl-2-(pyridine-3-carbonylamino)acetyl]amino]-1,3-thiazole-4-carboxylate is COC(=O)c1nc(NC(=O)C(NC(=O)c2cccnc2)c2ccccc2)sc1C.
What is the InChIKey of methyl 5-methyl-2-[[2-phenyl-2-(pyridine-3-carbonylamino)acetyl]amino]-1,3-thiazole-4-carboxylate?
The InChIKey is SVUYVUCGCXNQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O4S/c1-12-15(19(27)28-2)23-20(29-12)24-18(26)16(13-7-4-3-5-8-13)22-17(25)14-9-6-10-21-11-14/h3-11,16H,1-2H3,(H,22,25)(H,23,24,26).
What are the key properties of methyl 5-methyl-2-[[2-phenyl-2-(pyridine-3-carbonylamino)acetyl]amino]-1,3-thiazole-4-carboxylate?
methyl 5-methyl-2-[[2-phenyl-2-(pyridine-3-carbonylamino)acetyl]amino]-1,3-thiazole-4-carboxylate has a molecular weight of 410.46 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-2-[[2-phenyl-2-(pyridine-3-carbonylamino)acetyl]amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 75356599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).