methyl 3-[[methyl(1,3-thiazol-2-yl)amino]methyl]thiophene-2-carboxylate

C11H12N2O2S2 — CID 167880953

IUPACmethyl 3-[[methyl(1,3-thiazol-2-yl)amino]methyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1CN(C)c1nccs1
InChIInChI=1S/C11H12N2O2S2/c1-13(11-12-4-6-17-11)7-8-3-5-16-9(8)10(14)15-2/h3-6H,7H2,1-2H3
InChIKeyPIDQNEMFSXZRJM-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.63
Rot. Bonds4

About methyl 3-[[methyl(1,3-thiazol-2-yl)amino]methyl]thiophene-2-carboxylate

methyl 3-[[methyl(1,3-thiazol-2-yl)amino]methyl]thiophene-2-carboxylate (PubChem CID 167880953) has the molecular formula C11H12N2O2S2 and a molecular weight of 268.36 g/mol. Its IUPAC name is methyl 3-[[methyl(1,3-thiazol-2-yl)amino]methyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[methyl(1,3-thiazol-2-yl)amino]methyl]thiophene-2-carboxylate
PubChem CID167880953
Molecular FormulaC11H12N2O2S2
Molecular Weight268.36 g/mol
Exact Mass268.03
IUPAC Namemethyl 3-[[methyl(1,3-thiazol-2-yl)amino]methyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1CN(C)c1nccs1
InChIInChI=1S/C11H12N2O2S2/c1-13(11-12-4-6-17-11)7-8-3-5-16-9(8)10(14)15-2/h3-6H,7H2,1-2H3
InChIKeyPIDQNEMFSXZRJM-UHFFFAOYSA-N
XLogP2.63
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-(pyrrol-1-ylmethyl)thiophene-2-carboxylate
CID 14910424
methyl 3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]thiophene-2-carboxylate
CID 71855938
N-[[2-(methoxymethyl)phenyl]methyl]-2-[methyl(1,3-thiazol-2-yl)amino]acetamide
CID 71857065
methyl 4-[[pyridin-3-yl(1,3-thiazol-2-yl)amino]methyl]benzoate
CID 90950603
methyl 3-but-3-ynylthiophene-2-carboxylate
CID 165180469
methyl 3-(aminomethyl)thiophene-2-carboxylate;methyl 3-(bromomethyl)thiophene-2-carboxylate
CID 157354994
methyl 3-[[[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]methyl]thiophene-2-carboxylate
CID 97061464
N-methyl-N-(1,3-thiazol-2-yl)carbamoyl chloride
CID 119090287
2-(4-methoxyphenyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 110715683
methyl 3-[(prop-2-enoylamino)methyl]thiophene-2-carboxylate
CID 166414579
2-(3-methoxyphenyl)-N-methyl-N-(1,3-thiazol-2-yl)acetamide
CID 110723395
2-(2,5-dimethoxyphenyl)-N-methyl-N-(1,3-thiazol-2-yl)acetamide
CID 78865572

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[methyl(1,3-thiazol-2-yl)amino]methyl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[[methyl(1,3-thiazol-2-yl)amino]methyl]thiophene-2-carboxylate (CID 167880953) is methyl 3-[[methyl(1,3-thiazol-2-yl)amino]methyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[[methyl(1,3-thiazol-2-yl)amino]methyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[[methyl(1,3-thiazol-2-yl)amino]methyl]thiophene-2-carboxylate is COC(=O)c1sccc1CN(C)c1nccs1.
What is the InChIKey of methyl 3-[[methyl(1,3-thiazol-2-yl)amino]methyl]thiophene-2-carboxylate?
The InChIKey is PIDQNEMFSXZRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S2/c1-13(11-12-4-6-17-11)7-8-3-5-16-9(8)10(14)15-2/h3-6H,7H2,1-2H3.
What are the key properties of methyl 3-[[methyl(1,3-thiazol-2-yl)amino]methyl]thiophene-2-carboxylate?
methyl 3-[[methyl(1,3-thiazol-2-yl)amino]methyl]thiophene-2-carboxylate has a molecular weight of 268.36 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[methyl(1,3-thiazol-2-yl)amino]methyl]thiophene-2-carboxylate is sourced from PubChem (CID 167880953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).