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

C12H12N2O4S — CID 120550524

IUPAC5-[(4,5-dimethyl-1,3-thiazol-2-yl)methylcarbamoyl]furan-3-carboxylic acid
SMILESCc1nc(CNC(=O)c2cc(C(=O)O)co2)sc1C
InChIInChI=1S/C12H12N2O4S/c1-6-7(2)19-10(14-6)4-13-11(15)9-3-8(5-18-9)12(16)17/h3,5H,4H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyRVBQKOAYRTZKRX-UHFFFAOYSA-N
MW280.30 g/mol
LogP1.98
Rot. Bonds4

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

5-[(4,5-dimethyl-1,3-thiazol-2-yl)methylcarbamoyl]furan-3-carboxylic acid (PubChem CID 120550524) has the molecular formula C12H12N2O4S and a molecular weight of 280.30 g/mol. Its IUPAC name is 5-[(4,5-dimethyl-1,3-thiazol-2-yl)methylcarbamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[(4,5-dimethyl-1,3-thiazol-2-yl)methylcarbamoyl]furan-3-carboxylic acid
PubChem CID120550524
Molecular FormulaC12H12N2O4S
Molecular Weight280.30 g/mol
Exact Mass280.05
IUPAC Name5-[(4,5-dimethyl-1,3-thiazol-2-yl)methylcarbamoyl]furan-3-carboxylic acid
SMILESCc1nc(CNC(=O)c2cc(C(=O)O)co2)sc1C
InChIInChI=1S/C12H12N2O4S/c1-6-7(2)19-10(14-6)4-13-11(15)9-3-8(5-18-9)12(16)17/h3,5H,4H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyRVBQKOAYRTZKRX-UHFFFAOYSA-N
XLogP1.98
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]benzamide
CID 58883688
4-[[(4,5-dimethyl-1,3-thiazol-2-yl)methylcarbamoylamino]methyl]benzoic acid
CID 122004521
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3,4-dimethylbenzamide
CID 110739109
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3,5-dimethoxybenzamide
CID 110444729
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methoxybenzamide
CID 110440268
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 110484286
5-[(2-phenyl-1,3-oxazol-4-yl)methylcarbamoyl]furan-3-carboxylic acid
CID 146132693
N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-2-oxoethyl]benzamide
CID 110443135
5-[(3-bromothiophen-2-yl)methylcarbamoyl]furan-3-carboxylic acid
CID 113432380
5-(2-acetamidoethylcarbamoyl)furan-3-carboxylic acid
CID 104607173
5-(2H-tetrazol-5-ylmethylcarbamoyl)furan-3-carboxylic acid
CID 104607434
3-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-2-methyl-3-oxopropanoic acid
CID 122065703

Frequently Asked Questions

What is the IUPAC name of 5-[(4,5-dimethyl-1,3-thiazol-2-yl)methylcarbamoyl]furan-3-carboxylic acid?
The IUPAC name of 5-[(4,5-dimethyl-1,3-thiazol-2-yl)methylcarbamoyl]furan-3-carboxylic acid (CID 120550524) is 5-[(4,5-dimethyl-1,3-thiazol-2-yl)methylcarbamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[(4,5-dimethyl-1,3-thiazol-2-yl)methylcarbamoyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[(4,5-dimethyl-1,3-thiazol-2-yl)methylcarbamoyl]furan-3-carboxylic acid is Cc1nc(CNC(=O)c2cc(C(=O)O)co2)sc1C.
What is the InChIKey of 5-[(4,5-dimethyl-1,3-thiazol-2-yl)methylcarbamoyl]furan-3-carboxylic acid?
The InChIKey is RVBQKOAYRTZKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4S/c1-6-7(2)19-10(14-6)4-13-11(15)9-3-8(5-18-9)12(16)17/h3,5H,4H2,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 5-[(4,5-dimethyl-1,3-thiazol-2-yl)methylcarbamoyl]furan-3-carboxylic acid?
5-[(4,5-dimethyl-1,3-thiazol-2-yl)methylcarbamoyl]furan-3-carboxylic acid has a molecular weight of 280.30 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4,5-dimethyl-1,3-thiazol-2-yl)methylcarbamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 120550524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).