methyl 4-methyl-2-(1H-pyrrole-2-carbonylamino)-1,3-thiazole-5-carboxylate

C11H11N3O3S — CID 110461118

IUPACmethyl 4-methyl-2-(1H-pyrrole-2-carbonylamino)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NC(=O)c2ccc[nH]2)nc1C
InChIInChI=1S/C11H11N3O3S/c1-6-8(10(16)17-2)18-11(13-6)14-9(15)7-4-3-5-12-7/h3-5,12H,1-2H3,(H,13,14,15)
InChIKeyURPPVQKEJQRAOI-UHFFFAOYSA-N
MW265.29 g/mol
LogP1.82
Rot. Bonds3

About methyl 4-methyl-2-(1H-pyrrole-2-carbonylamino)-1,3-thiazole-5-carboxylate

methyl 4-methyl-2-(1H-pyrrole-2-carbonylamino)-1,3-thiazole-5-carboxylate (PubChem CID 110461118) has the molecular formula C11H11N3O3S and a molecular weight of 265.29 g/mol. Its IUPAC name is methyl 4-methyl-2-(1H-pyrrole-2-carbonylamino)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-2-(1H-pyrrole-2-carbonylamino)-1,3-thiazole-5-carboxylate
PubChem CID110461118
Molecular FormulaC11H11N3O3S
Molecular Weight265.29 g/mol
Exact Mass265.05
IUPAC Namemethyl 4-methyl-2-(1H-pyrrole-2-carbonylamino)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NC(=O)c2ccc[nH]2)nc1C
InChIInChI=1S/C11H11N3O3S/c1-6-8(10(16)17-2)18-11(13-6)14-9(15)7-4-3-5-12-7/h3-5,12H,1-2H3,(H,13,14,15)
InChIKeyURPPVQKEJQRAOI-UHFFFAOYSA-N
XLogP1.82
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[2-[(5-methoxycarbonyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 3601092
methyl 4-methyl-2-[(3-methylthiophene-2-carbonyl)amino]-1,3-thiazole-5-carboxylate
CID 78808645
methyl 2-[[4-(tert-butylcarbamoyl)benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 48850323
methyl 2-[(2,3-dimethylbenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 60594520
methyl 4-methyl-2-(1H-pyrazole-4-carbonylamino)-1,3-thiazole-5-carboxylate
CID 110466732
methyl 4-methyl-2-[(5-methylfuran-2-carbonyl)amino]-1,3-thiazole-5-carboxylate
CID 844700
methyl 4-methyl-2-[(2-methylsulfonylbenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 44922208
N-(4-methoxy-1,3-benzothiazol-2-yl)-1H-pyrrole-2-carboxamide
CID 110461136
methyl 4-methyl-2-[[4-(2-methylpropoxy)benzoyl]amino]-1,3-thiazole-5-carboxylate
CID 23763670
N-(5-benzoyl-4-methyl-1,3-thiazol-2-yl)benzamide
CID 7315330
ethyl 2-(1H-imidazole-5-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 110475404
methyl 2-[[2-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 78814304

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-(1H-pyrrole-2-carbonylamino)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-methyl-2-(1H-pyrrole-2-carbonylamino)-1,3-thiazole-5-carboxylate (CID 110461118) is methyl 4-methyl-2-(1H-pyrrole-2-carbonylamino)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-methyl-2-(1H-pyrrole-2-carbonylamino)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-methyl-2-(1H-pyrrole-2-carbonylamino)-1,3-thiazole-5-carboxylate is COC(=O)c1sc(NC(=O)c2ccc[nH]2)nc1C.
What is the InChIKey of methyl 4-methyl-2-(1H-pyrrole-2-carbonylamino)-1,3-thiazole-5-carboxylate?
The InChIKey is URPPVQKEJQRAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3S/c1-6-8(10(16)17-2)18-11(13-6)14-9(15)7-4-3-5-12-7/h3-5,12H,1-2H3,(H,13,14,15).
What are the key properties of methyl 4-methyl-2-(1H-pyrrole-2-carbonylamino)-1,3-thiazole-5-carboxylate?
methyl 4-methyl-2-(1H-pyrrole-2-carbonylamino)-1,3-thiazole-5-carboxylate has a molecular weight of 265.29 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-(1H-pyrrole-2-carbonylamino)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 110461118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).