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

C11H10N2O3S2 — CID 698160

IUPACmethyl 4-methyl-2-(thiophene-2-carbonylamino)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NC(=O)c2cccs2)nc1C
InChIInChI=1S/C11H10N2O3S2/c1-6-8(10(15)16-2)18-11(12-6)13-9(14)7-4-3-5-17-7/h3-5H,1-2H3,(H,12,13,14)
InChIKeyJELYNNLSUDZTMB-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.55
Rot. Bonds3

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

methyl 4-methyl-2-(thiophene-2-carbonylamino)-1,3-thiazole-5-carboxylate (PubChem CID 698160) has the molecular formula C11H10N2O3S2 and a molecular weight of 282.35 g/mol. Its IUPAC name is methyl 4-methyl-2-(thiophene-2-carbonylamino)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-2-(thiophene-2-carbonylamino)-1,3-thiazole-5-carboxylate
PubChem CID698160
Molecular FormulaC11H10N2O3S2
Molecular Weight282.35 g/mol
Exact Mass282.01
IUPAC Namemethyl 4-methyl-2-(thiophene-2-carbonylamino)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NC(=O)c2cccs2)nc1C
InChIInChI=1S/C11H10N2O3S2/c1-6-8(10(15)16-2)18-11(12-6)13-9(14)7-4-3-5-17-7/h3-5H,1-2H3,(H,12,13,14)
InChIKeyJELYNNLSUDZTMB-UHFFFAOYSA-N
XLogP2.55
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 2-(thiophene-2-carbonylamino)-1,3-thiazole-4-carboxylate
CID 726753
Ethyl 2-{[(benzoylamino)carbothioyl]amino}-4-methyl-1,3-thiazole-5-carboxylate
CID 782862
Ethyl 4-methyl-2-[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)amino]-1,3-thiazole-5-carboxylate
CID 4877095
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 734129
Methyl 2-[5-methyl-2-(thiophene-2-carbonylamino)-1,3-thiazol-4-yl]acetate
CID 2809560
Ethyl 4-methyl-2-[(2-thienylcarbonyl)amino]-1,3-thiazole-5-carboxylate
CID 696042
Ethyl 2-[2-(thiophene-2-amido)-1,3-thiazol-4-yl]acetate
CID 702932
4-Methyl-2-[3-(4-methyl-benzoyl)-thioureido]-thiazole-5-carboxylic acid methyl ester
CID 739040
Methyl 4-methyl-2-({[(3-methylbenzoyl)amino]carbothioyl}amino)-1,3-thiazole-5-carboxylate
CID 1227624
2-[[(5-Ethyl-2-thiophenyl)-oxomethyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester
CID 1244006
Methyl 4-methyl-2-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)-1,3-thiazole-5-carboxylate
CID 1245230
Ethyl (2-{[(5-methyl-3-thienyl)carbonyl]amino}-1,3-thiazol-4-yl)acetate
CID 1246639

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-(thiophene-2-carbonylamino)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-methyl-2-(thiophene-2-carbonylamino)-1,3-thiazole-5-carboxylate (CID 698160) is methyl 4-methyl-2-(thiophene-2-carbonylamino)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-methyl-2-(thiophene-2-carbonylamino)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-methyl-2-(thiophene-2-carbonylamino)-1,3-thiazole-5-carboxylate is COC(=O)c1sc(NC(=O)c2cccs2)nc1C.
What is the InChIKey of methyl 4-methyl-2-(thiophene-2-carbonylamino)-1,3-thiazole-5-carboxylate?
The InChIKey is JELYNNLSUDZTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3S2/c1-6-8(10(15)16-2)18-11(12-6)13-9(14)7-4-3-5-17-7/h3-5H,1-2H3,(H,12,13,14).
What are the key properties of methyl 4-methyl-2-(thiophene-2-carbonylamino)-1,3-thiazole-5-carboxylate?
methyl 4-methyl-2-(thiophene-2-carbonylamino)-1,3-thiazole-5-carboxylate has a molecular weight of 282.35 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-(thiophene-2-carbonylamino)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 698160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).