2-methyl-5-[[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]methyl]furan-3-carboxylic acid

C13H15N3O4S — CID 63824877

IUPAC2-methyl-5-[[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]methyl]furan-3-carboxylic acid
SMILESCc1oc(CNC(=O)NCCc2cscn2)cc1C(=O)O
InChIInChI=1S/C13H15N3O4S/c1-8-11(12(17)18)4-10(20-8)5-15-13(19)14-3-2-9-6-21-7-16-9/h4,6-7H,2-3,5H2,1H3,(H,17,18)(H2,14,15,19)
InChIKeyBXRYRMHKVMZNLN-UHFFFAOYSA-N
MW309.35 g/mol
LogP1.78
Rot. Bonds6

About 2-methyl-5-[[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]methyl]furan-3-carboxylic acid

2-methyl-5-[[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]methyl]furan-3-carboxylic acid (PubChem CID 63824877) has the molecular formula C13H15N3O4S and a molecular weight of 309.35 g/mol. Its IUPAC name is 2-methyl-5-[[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-[[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]methyl]furan-3-carboxylic acid
PubChem CID63824877
Molecular FormulaC13H15N3O4S
Molecular Weight309.35 g/mol
Exact Mass309.08
IUPAC Name2-methyl-5-[[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]methyl]furan-3-carboxylic acid
SMILESCc1oc(CNC(=O)NCCc2cscn2)cc1C(=O)O
InChIInChI=1S/C13H15N3O4S/c1-8-11(12(17)18)4-10(20-8)5-15-13(19)14-3-2-9-6-21-7-16-9/h4,6-7H,2-3,5H2,1H3,(H,17,18)(H2,14,15,19)
InChIKeyBXRYRMHKVMZNLN-UHFFFAOYSA-N
XLogP1.78
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-methyl-5-[[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]methyl]furan-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-5-[(1,3-thiazol-4-ylmethylcarbamoylamino)methyl]furan-3-carboxylic acid
CID 63826285
2-methyl-5-[(pyridin-2-ylmethylcarbamoylamino)methyl]furan-3-carboxylic acid
CID 61189375
2-[[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]methyl]pyridine-4-carboxylic acid
CID 114325328
5-[(hex-5-ynylcarbamoylamino)methyl]-2-methylfuran-3-carboxylic acid
CID 106216118
5-[(2,2-difluoroethylcarbamoylamino)methyl]-2-methylfuran-3-carboxylic acid
CID 115408082
5-[(2-chloroprop-2-enylcarbamoylamino)methyl]-2-methylfuran-3-carboxylic acid
CID 113464825
5-fluoro-2-[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]benzoic acid
CID 63825763
2-methyl-4-(1,3-thiazol-4-ylmethylcarbamoylamino)butanoic acid
CID 80540931
(2S)-2-hydroxy-4-[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]butanoic acid
CID 107840016
5-[(cyclohexylmethylcarbamoylamino)methyl]-2-methylfuran-3-carboxylic acid
CID 61199346
1-methyl-3-(1,3-thiazol-4-ylmethyl)urea
CID 23548401
2-[4-[[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]methyl]triazol-1-yl]acetic acid
CID 115458718

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]methyl]furan-3-carboxylic acid?
The IUPAC name of 2-methyl-5-[[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]methyl]furan-3-carboxylic acid (CID 63824877) is 2-methyl-5-[[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-methyl-5-[[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-methyl-5-[[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]methyl]furan-3-carboxylic acid is Cc1oc(CNC(=O)NCCc2cscn2)cc1C(=O)O.
What is the InChIKey of 2-methyl-5-[[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]methyl]furan-3-carboxylic acid?
The InChIKey is BXRYRMHKVMZNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S/c1-8-11(12(17)18)4-10(20-8)5-15-13(19)14-3-2-9-6-21-7-16-9/h4,6-7H,2-3,5H2,1H3,(H,17,18)(H2,14,15,19).
What are the key properties of 2-methyl-5-[[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]methyl]furan-3-carboxylic acid?
2-methyl-5-[[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]methyl]furan-3-carboxylic acid has a molecular weight of 309.35 g/mol, XLogP of 1.78, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 63824877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).