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

C10H8N2O3S2 — CID 110471808

IUPACmethyl 2-(1,3-thiazole-4-carbonylamino)thiophene-3-carboxylate
SMILESCOC(=O)c1ccsc1NC(=O)c1cscn1
InChIInChI=1S/C10H8N2O3S2/c1-15-10(14)6-2-3-17-9(6)12-8(13)7-4-16-5-11-7/h2-5H,1H3,(H,12,13)
InChIKeyVLTKWNIJJQSTFM-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.24
Rot. Bonds3

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

methyl 2-(1,3-thiazole-4-carbonylamino)thiophene-3-carboxylate (PubChem CID 110471808) has the molecular formula C10H8N2O3S2 and a molecular weight of 268.32 g/mol. Its IUPAC name is methyl 2-(1,3-thiazole-4-carbonylamino)thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(1,3-thiazole-4-carbonylamino)thiophene-3-carboxylate
PubChem CID110471808
Molecular FormulaC10H8N2O3S2
Molecular Weight268.32 g/mol
Exact Mass268.00
IUPAC Namemethyl 2-(1,3-thiazole-4-carbonylamino)thiophene-3-carboxylate
SMILESCOC(=O)c1ccsc1NC(=O)c1cscn1
InChIInChI=1S/C10H8N2O3S2/c1-15-10(14)6-2-3-17-9(6)12-8(13)7-4-16-5-11-7/h2-5H,1H3,(H,12,13)
InChIKeyVLTKWNIJJQSTFM-UHFFFAOYSA-N
XLogP2.24
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-methyl-2-(1,3-thiazole-4-carbonylamino)thiophene-3-carboxylate
CID 84560174
methyl 4-fluoro-2-(1,3-thiazole-4-carbonylamino)benzoate
CID 63047498
methyl 2-(thiophene-2-carbonylamino)thiophene-3-carboxylate
CID 2808577
N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 58337725
dimethyl 5-(1,3-thiazole-4-carbonylamino)benzene-1,3-dicarboxylate
CID 84554958
methyl 2-methyl-4-[1-(1,3-thiazole-4-carbonylamino)ethyl]benzoate
CID 171791978
methyl 2-[(4-chloro-2-hydroxybenzoyl)amino]thiophene-3-carboxylate
CID 167763040
methyl 2-[(5-bromothiophene-2-carbonyl)amino]thiophene-3-carboxylate
CID 7166879
methyl 4-chloro-3-(1,3-thiazole-4-carbonylamino)benzoate
CID 63049738
ethyl 2-(1,3-thiazole-4-carbonylamino)-4-thiophen-2-ylthiophene-3-carboxylate
CID 84560643
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-4-carboxamide
CID 84561012
methyl 2-[(4-cyanobenzoyl)amino]thiophene-3-carboxylate
CID 4053233

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1,3-thiazole-4-carbonylamino)thiophene-3-carboxylate?
The IUPAC name of methyl 2-(1,3-thiazole-4-carbonylamino)thiophene-3-carboxylate (CID 110471808) is methyl 2-(1,3-thiazole-4-carbonylamino)thiophene-3-carboxylate.
What is the SMILES notation for methyl 2-(1,3-thiazole-4-carbonylamino)thiophene-3-carboxylate?
The canonical SMILES for methyl 2-(1,3-thiazole-4-carbonylamino)thiophene-3-carboxylate is COC(=O)c1ccsc1NC(=O)c1cscn1.
What is the InChIKey of methyl 2-(1,3-thiazole-4-carbonylamino)thiophene-3-carboxylate?
The InChIKey is VLTKWNIJJQSTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3S2/c1-15-10(14)6-2-3-17-9(6)12-8(13)7-4-16-5-11-7/h2-5H,1H3,(H,12,13).
What are the key properties of methyl 2-(1,3-thiazole-4-carbonylamino)thiophene-3-carboxylate?
methyl 2-(1,3-thiazole-4-carbonylamino)thiophene-3-carboxylate has a molecular weight of 268.32 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1,3-thiazole-4-carbonylamino)thiophene-3-carboxylate is sourced from PubChem (CID 110471808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).