methyl 2-(1-thiophen-2-ylpropan-2-ylamino)-1,3-thiazole-4-carboxylate

C12H14N2O2S2 — CID 113307165

IUPACmethyl 2-(1-thiophen-2-ylpropan-2-ylamino)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(NC(C)Cc2cccs2)n1
InChIInChI=1S/C12H14N2O2S2/c1-8(6-9-4-3-5-17-9)13-12-14-10(7-18-12)11(15)16-2/h3-5,7-8H,6H2,1-2H3,(H,13,14)
InChIKeyPUCDSIIRULLIQQ-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.03
Rot. Bonds5

About methyl 2-(1-thiophen-2-ylpropan-2-ylamino)-1,3-thiazole-4-carboxylate

methyl 2-(1-thiophen-2-ylpropan-2-ylamino)-1,3-thiazole-4-carboxylate (PubChem CID 113307165) has the molecular formula C12H14N2O2S2 and a molecular weight of 282.39 g/mol. Its IUPAC name is methyl 2-(1-thiophen-2-ylpropan-2-ylamino)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(1-thiophen-2-ylpropan-2-ylamino)-1,3-thiazole-4-carboxylate
PubChem CID113307165
Molecular FormulaC12H14N2O2S2
Molecular Weight282.39 g/mol
Exact Mass282.05
IUPAC Namemethyl 2-(1-thiophen-2-ylpropan-2-ylamino)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(NC(C)Cc2cccs2)n1
InChIInChI=1S/C12H14N2O2S2/c1-8(6-9-4-3-5-17-9)13-12-14-10(7-18-12)11(15)16-2/h3-5,7-8H,6H2,1-2H3,(H,13,14)
InChIKeyPUCDSIIRULLIQQ-UHFFFAOYSA-N
XLogP3.03
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-thiophen-2-ylpropan-2-ylamino)-1,3-thiazole-4-carboxylic acid
CID 80568782
methyl 2,3-difluoro-4-(1-thiophen-2-ylpropan-2-ylamino)benzoate
CID 79834904
methyl 2-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-1,3-thiazole-4-carboxylate
CID 113306936
4,6-dimethoxy-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazin-2-amine
CID 63291908
methyl 2-[1-(4-chlorophenyl)ethylamino]-1,3-thiazole-4-carboxylate
CID 115423903
methyl 2-[1-(4-fluorophenyl)ethylamino]-1,3-thiazole-4-carboxylate
CID 113306846
methyl 2-[2-oxo-2-[[(2S)-1-thiophen-2-ylpropan-2-yl]amino]ethyl]benzoate
CID 97254848
3-(1-thiophen-2-ylpropan-2-ylamino)propanoic acid
CID 63291768
3-bromo-N-(1-thiophen-2-ylpropan-2-yl)propanamide
CID 82110960
methyl 2-[2-(dimethylamino)anilino]-1,3-thiazole-4-carboxylate
CID 106760978
4-[methyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]butanoic acid
CID 63292151
6-(methylamino)-N-(1-thiophen-2-ylpropan-2-yl)pyridine-2-carboxamide
CID 63296076

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-thiophen-2-ylpropan-2-ylamino)-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-(1-thiophen-2-ylpropan-2-ylamino)-1,3-thiazole-4-carboxylate (CID 113307165) is methyl 2-(1-thiophen-2-ylpropan-2-ylamino)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-(1-thiophen-2-ylpropan-2-ylamino)-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-(1-thiophen-2-ylpropan-2-ylamino)-1,3-thiazole-4-carboxylate is COC(=O)c1csc(NC(C)Cc2cccs2)n1.
What is the InChIKey of methyl 2-(1-thiophen-2-ylpropan-2-ylamino)-1,3-thiazole-4-carboxylate?
The InChIKey is PUCDSIIRULLIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S2/c1-8(6-9-4-3-5-17-9)13-12-14-10(7-18-12)11(15)16-2/h3-5,7-8H,6H2,1-2H3,(H,13,14).
What are the key properties of methyl 2-(1-thiophen-2-ylpropan-2-ylamino)-1,3-thiazole-4-carboxylate?
methyl 2-(1-thiophen-2-ylpropan-2-ylamino)-1,3-thiazole-4-carboxylate has a molecular weight of 282.39 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-thiophen-2-ylpropan-2-ylamino)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 113307165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).