methyl 2-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate

C13H15N3O3S2 — CID 66376322

IUPACmethyl 2-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)c2csc(CN)n2)sc(C)c1C
InChIInChI=1S/C13H15N3O3S2/c1-6-7(2)21-12(10(6)13(18)19-3)16-11(17)8-5-20-9(4-14)15-8/h5H,4,14H2,1-3H3,(H,16,17)
InChIKeyIXBPIVFIXMAHIC-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.32
Rot. Bonds4

About methyl 2-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate

methyl 2-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate (PubChem CID 66376322) has the molecular formula C13H15N3O3S2 and a molecular weight of 325.42 g/mol. Its IUPAC name is methyl 2-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate
PubChem CID66376322
Molecular FormulaC13H15N3O3S2
Molecular Weight325.42 g/mol
Exact Mass325.06
IUPAC Namemethyl 2-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)c2csc(CN)n2)sc(C)c1C
InChIInChI=1S/C13H15N3O3S2/c1-6-7(2)21-12(10(6)13(18)19-3)16-11(17)8-5-20-9(4-14)15-8/h5H,4,14H2,1-3H3,(H,16,17)
InChIKeyIXBPIVFIXMAHIC-UHFFFAOYSA-N
XLogP2.32
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 2-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate with MolForge

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Related Compounds

2-(aminomethyl)-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazole-4-carboxamide
CID 119810816
ethyl 4,5-dimethyl-2-(pyridine-2-carbonylamino)thiophene-3-carboxylate
CID 17475562
ethyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate;hydrochloride
CID 71697793
methyl 2-[(3-amino-2,2-dimethylpropanoyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 115426626
methyl 3-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]butanoate;hydrochloride
CID 119695198
methyl (2S)-2-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-4-methylpentanoate
CID 103954914
2-[3-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19500135
2-(aminomethyl)-N-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 66378569
methyl 2-[(5-chlorothiophene-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 1245265
methyl (2S,3S)-2-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-3-methylpentanoate;hydrochloride
CID 119748437
ethyl 4-methyl-5-(methylcarbamoyl)-2-[[2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carbonyl]amino]thiophene-3-carboxylate
CID 34171843
2-(aminomethyl)-N-(4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide
CID 66377228

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate?
The IUPAC name of methyl 2-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate (CID 66376322) is methyl 2-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate.
What is the SMILES notation for methyl 2-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate?
The canonical SMILES for methyl 2-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate is COC(=O)c1c(NC(=O)c2csc(CN)n2)sc(C)c1C.
What is the InChIKey of methyl 2-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate?
The InChIKey is IXBPIVFIXMAHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S2/c1-6-7(2)21-12(10(6)13(18)19-3)16-11(17)8-5-20-9(4-14)15-8/h5H,4,14H2,1-3H3,(H,16,17).
What are the key properties of methyl 2-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate?
methyl 2-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate has a molecular weight of 325.42 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate is sourced from PubChem (CID 66376322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).