2-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-4-carboxamide

C11H13N3O2S — CID 66376144

IUPAC2-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(CNC(=O)c2csc(CN)n2)o1
InChIInChI=1S/C11H13N3O2S/c1-7-2-3-8(16-7)5-13-11(15)9-6-17-10(4-12)14-9/h2-3,6H,4-5,12H2,1H3,(H,13,15)
InChIKeySDVOHFRZGKOTBY-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.43
Rot. Bonds4

About 2-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-4-carboxamide

2-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 66376144) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID66376144
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name2-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(CNC(=O)c2csc(CN)n2)o1
InChIInChI=1S/C11H13N3O2S/c1-7-2-3-8(16-7)5-13-11(15)9-6-17-10(4-12)14-9/h2-3,6H,4-5,12H2,1H3,(H,13,15)
InChIKeySDVOHFRZGKOTBY-UHFFFAOYSA-N
XLogP1.43
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-2,4-dicarboxamide
CID 53158295
ethyl 4-[(5-methylfuran-2-yl)methylcarbamoyl]-1,3-thiazole-2-carboxylate
CID 116697972
N-[2-(5-methylfuran-2-yl)ethyl]-2-propyl-1,3-thiazole-4-carboxamide
CID 72853939
2-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
CID 66380424
2-(aminomethyl)-N-[(3-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 66378027
2-(aminomethyl)-N-[(5-bromothiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 66377859
2-(aminomethyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 66377414
2-(aminomethyl)-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide
CID 66375870
2-(aminomethyl)-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 119698675
2-(aminomethyl)-N-[(3-methoxy-4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 119747520
N-[(5-methylfuran-2-yl)methyl]-2-[[2-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide
CID 46114198
4-hydrazinyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
CID 62524791

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-4-carboxamide (CID 66376144) is 2-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-4-carboxamide is Cc1ccc(CNC(=O)c2csc(CN)n2)o1.
What is the InChIKey of 2-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is SDVOHFRZGKOTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-7-2-3-8(16-7)5-13-11(15)9-6-17-10(4-12)14-9/h2-3,6H,4-5,12H2,1H3,(H,13,15).
What are the key properties of 2-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 251.31 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66376144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).