methyl 2-[[2-[(5-methoxycarbonyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate

C20H18N4O6S2 — CID 3601092

IUPACmethyl 2-[[2-[(5-methoxycarbonyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NC(=O)c2ccccc2C(=O)Nc2nc(C)c(C(=O)OC)s2)nc1C
InChIInChI=1S/C20H18N4O6S2/c1-9-13(17(27)29-3)31-19(21-9)23-15(25)11-7-5-6-8-12(11)16(26)24-20-22-10(2)14(32-20)18(28)30-4/h5-8H,1-4H3,(H,21,23,25)(H,22,24,26)
InChIKeyPRFQIIAOMJAJDS-UHFFFAOYSA-N
MW474.52 g/mol
LogP3.29
Rot. Bonds6

About methyl 2-[[2-[(5-methoxycarbonyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate

methyl 2-[[2-[(5-methoxycarbonyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 3601092) has the molecular formula C20H18N4O6S2 and a molecular weight of 474.52 g/mol. Its IUPAC name is methyl 2-[[2-[(5-methoxycarbonyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[2-[(5-methoxycarbonyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID3601092
Molecular FormulaC20H18N4O6S2
Molecular Weight474.52 g/mol
Exact Mass474.07
IUPAC Namemethyl 2-[[2-[(5-methoxycarbonyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NC(=O)c2ccccc2C(=O)Nc2nc(C)c(C(=O)OC)s2)nc1C
InChIInChI=1S/C20H18N4O6S2/c1-9-13(17(27)29-3)31-19(21-9)23-15(25)11-7-5-6-8-12(11)16(26)24-20-22-10(2)14(32-20)18(28)30-4/h5-8H,1-4H3,(H,21,23,25)(H,22,24,26)
InChIKeyPRFQIIAOMJAJDS-UHFFFAOYSA-N
XLogP3.29
TPSA136.58 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.52
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze methyl 2-[[2-[(5-methoxycarbonyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate with MolForge

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Related Compounds

methyl 2-[(2,3-dimethylbenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 60594520
methyl 4-methyl-2-[(2-methylsulfonylbenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 44922208
1-N,2-N-bis[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]benzene-1,2-dicarboxamide
CID 4065247
methyl 4-methyl-2-[(3-methylthiophene-2-carbonyl)amino]-1,3-thiazole-5-carboxylate
CID 78808645
methyl 4-methyl-2-(1H-pyrrole-2-carbonylamino)-1,3-thiazole-5-carboxylate
CID 110461118
methyl 4-methyl-2-[(5-methylfuran-2-carbonyl)amino]-1,3-thiazole-5-carboxylate
CID 844700
methyl 2-[[4-(tert-butylcarbamoyl)benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 48850323
methyl 4-methyl-2-(1H-pyrazole-4-carbonylamino)-1,3-thiazole-5-carboxylate
CID 110466732
methyl 4-methyl-2-[(2-phenoxyacetyl)amino]-1,3-thiazole-5-carboxylate
CID 647925
N-[5-(2-bromoacetyl)-4-methyl-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 82162119
methyl 4-methyl-2-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]-1,3-thiazole-5-carboxylate
CID 4536194
methyl 2-[[2-[2-(1-adamantylamino)-2-oxoethyl]sulfanylbenzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 55383362

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[(5-methoxycarbonyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[[2-[(5-methoxycarbonyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate (CID 3601092) is methyl 2-[[2-[(5-methoxycarbonyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[[2-[(5-methoxycarbonyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[[2-[(5-methoxycarbonyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate is COC(=O)c1sc(NC(=O)c2ccccc2C(=O)Nc2nc(C)c(C(=O)OC)s2)nc1C.
What is the InChIKey of methyl 2-[[2-[(5-methoxycarbonyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is PRFQIIAOMJAJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O6S2/c1-9-13(17(27)29-3)31-19(21-9)23-15(25)11-7-5-6-8-12(11)16(26)24-20-22-10(2)14(32-20)18(28)30-4/h5-8H,1-4H3,(H,21,23,25)(H,22,24,26).
What are the key properties of methyl 2-[[2-[(5-methoxycarbonyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
methyl 2-[[2-[(5-methoxycarbonyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 474.52 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[(5-methoxycarbonyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 3601092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).