2-(aminomethyl)-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxamide

C11H13N3O2S — CID 82119492

IUPAC2-(aminomethyl)-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(CN)sc1C(=O)NCc1ccco1
InChIInChI=1S/C11H13N3O2S/c1-7-10(17-9(5-12)14-7)11(15)13-6-8-3-2-4-16-8/h2-4H,5-6,12H2,1H3,(H,13,15)
InChIKeyNOCGKMQESPUCMA-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.43
Rot. Bonds4

About 2-(aminomethyl)-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxamide

2-(aminomethyl)-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 82119492) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID82119492
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name2-(aminomethyl)-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(CN)sc1C(=O)NCc1ccco1
InChIInChI=1S/C11H13N3O2S/c1-7-10(17-9(5-12)14-7)11(15)13-6-8-3-2-4-16-8/h2-4H,5-6,12H2,1H3,(H,13,15)
InChIKeyNOCGKMQESPUCMA-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

tert-butyl N-[[5-(furan-2-ylmethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]methyl]carbamate
CID 110675610
N-(furan-2-ylmethyl)-4-methyl-2-(3-methylbutylamino)-1,3-thiazole-5-carboxamide
CID 45491510
N-(furan-2-ylmethyl)-4,5-dimethyl-1,3-thiazole-2-carboxamide
CID 110696290
N-(furan-2-ylmethyl)-4-methylthiadiazole-5-carboxamide
CID 7576752
N-[2-(furan-2-yl)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 47015184
2-amino-N-[3-(furan-2-yl)propyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 56711673
2-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 83969596
N-(furan-2-ylmethyl)-5-methyl-1,3-thiazole-2-carboxamide
CID 70669405
N-(furan-2-ylmethyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 8868004
3-amino-N-(furan-2-ylmethyl)-8-methylthieno[2,3-b]quinoline-2-carboxamide
CID 865148
N-(furan-2-ylmethyl)-2,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 39084661
4-amino-N-(furan-2-ylmethyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 116667583

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 82119492) is 2-(aminomethyl)-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(CN)sc1C(=O)NCc1ccco1.
What is the InChIKey of 2-(aminomethyl)-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is NOCGKMQESPUCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-7-10(17-9(5-12)14-7)11(15)13-6-8-3-2-4-16-8/h2-4H,5-6,12H2,1H3,(H,13,15).
What are the key properties of 2-(aminomethyl)-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxamide?
2-(aminomethyl)-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-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-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 82119492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).