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

C12H13N3O4S — CID 63826285

IUPAC2-methyl-5-[(1,3-thiazol-4-ylmethylcarbamoylamino)methyl]furan-3-carboxylic acid
SMILESCc1oc(CNC(=O)NCc2cscn2)cc1C(=O)O
InChIInChI=1S/C12H13N3O4S/c1-7-10(11(16)17)2-9(19-7)4-14-12(18)13-3-8-5-20-6-15-8/h2,5-6H,3-4H2,1H3,(H,16,17)(H2,13,14,18)
InChIKeyYTGRCFFUQOBWEL-UHFFFAOYSA-N
MW295.32 g/mol
LogP1.74
Rot. Bonds5

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

2-methyl-5-[(1,3-thiazol-4-ylmethylcarbamoylamino)methyl]furan-3-carboxylic acid (PubChem CID 63826285) has the molecular formula C12H13N3O4S and a molecular weight of 295.32 g/mol. Its IUPAC name is 2-methyl-5-[(1,3-thiazol-4-ylmethylcarbamoylamino)methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-[(1,3-thiazol-4-ylmethylcarbamoylamino)methyl]furan-3-carboxylic acid
PubChem CID63826285
Molecular FormulaC12H13N3O4S
Molecular Weight295.32 g/mol
Exact Mass295.06
IUPAC Name2-methyl-5-[(1,3-thiazol-4-ylmethylcarbamoylamino)methyl]furan-3-carboxylic acid
SMILESCc1oc(CNC(=O)NCc2cscn2)cc1C(=O)O
InChIInChI=1S/C12H13N3O4S/c1-7-10(11(16)17)2-9(19-7)4-14-12(18)13-3-8-5-20-6-15-8/h2,5-6H,3-4H2,1H3,(H,16,17)(H2,13,14,18)
InChIKeyYTGRCFFUQOBWEL-UHFFFAOYSA-N
XLogP1.74
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-methyl-5-[(1,3-thiazol-4-ylmethylcarbamoylamino)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-[[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]methyl]furan-3-carboxylic acid
CID 63824877
2-methyl-5-[(pyridin-2-ylmethylcarbamoylamino)methyl]furan-3-carboxylic acid
CID 61189375
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-[(cyclohexylmethylcarbamoylamino)methyl]-2-methylfuran-3-carboxylic acid
CID 61199346
1-methyl-3-(1,3-thiazol-4-ylmethyl)urea
CID 23548401
methyl 5-[[(4-methoxycarbonyl-5-methylfuran-2-yl)methylcarbamoylamino]methyl]-2-methylfuran-3-carboxylate
CID 51116970
2-methyl-5-[(4-methylpentan-2-ylcarbamoylamino)methyl]furan-3-carboxylic acid
CID 61197084
5-[[(1-amino-1-oxopropan-2-yl)carbamoylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 61202805
5-[(hex-5-ynylcarbamoylamino)methyl]-2-methylfuran-3-carboxylic acid
CID 106216118
2-methyl-5-[(prop-2-enoylamino)methyl]furan-3-carboxylic acid
CID 61025083
5-[[(2,5-dimethylthiophene-3-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61024303

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(1,3-thiazol-4-ylmethylcarbamoylamino)methyl]furan-3-carboxylic acid?
The IUPAC name of 2-methyl-5-[(1,3-thiazol-4-ylmethylcarbamoylamino)methyl]furan-3-carboxylic acid (CID 63826285) is 2-methyl-5-[(1,3-thiazol-4-ylmethylcarbamoylamino)methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-methyl-5-[(1,3-thiazol-4-ylmethylcarbamoylamino)methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-methyl-5-[(1,3-thiazol-4-ylmethylcarbamoylamino)methyl]furan-3-carboxylic acid is Cc1oc(CNC(=O)NCc2cscn2)cc1C(=O)O.
What is the InChIKey of 2-methyl-5-[(1,3-thiazol-4-ylmethylcarbamoylamino)methyl]furan-3-carboxylic acid?
The InChIKey is YTGRCFFUQOBWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4S/c1-7-10(11(16)17)2-9(19-7)4-14-12(18)13-3-8-5-20-6-15-8/h2,5-6H,3-4H2,1H3,(H,16,17)(H2,13,14,18).
What are the key properties of 2-methyl-5-[(1,3-thiazol-4-ylmethylcarbamoylamino)methyl]furan-3-carboxylic acid?
2-methyl-5-[(1,3-thiazol-4-ylmethylcarbamoylamino)methyl]furan-3-carboxylic acid has a molecular weight of 295.32 g/mol, XLogP of 1.74, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(1,3-thiazol-4-ylmethylcarbamoylamino)methyl]furan-3-carboxylic acid is sourced from PubChem (CID 63826285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).