1-[[[2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid

C17H20N2O4S — CID 120544577

IUPAC1-[[[2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESCc1sc(-c2ccco2)nc1C(=O)NCC1(C(=O)O)CCCCC1
InChIInChI=1S/C17H20N2O4S/c1-11-13(19-15(24-11)12-6-5-9-23-12)14(20)18-10-17(16(21)22)7-3-2-4-8-17/h5-6,9H,2-4,7-8,10H2,1H3,(H,18,20)(H,21,22)
InChIKeyPQUBFHUBIJTXOL-UHFFFAOYSA-N
MW348.42 g/mol
LogP3.48
Rot. Bonds5

About 1-[[[2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid

1-[[[2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 120544577) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 1-[[[2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID120544577
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name1-[[[2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESCc1sc(-c2ccco2)nc1C(=O)NCC1(C(=O)O)CCCCC1
InChIInChI=1S/C17H20N2O4S/c1-11-13(19-15(24-11)12-6-5-9-23-12)14(20)18-10-17(16(21)22)7-3-2-4-8-17/h5-6,9H,2-4,7-8,10H2,1H3,(H,18,20)(H,21,22)
InChIKeyPQUBFHUBIJTXOL-UHFFFAOYSA-N
XLogP3.48
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[[2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

2-(furan-2-yl)-5-methyl-N-[(3-methyloxetan-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 78956621
2-(furan-2-yl)-N-[(3-hydroxythiolan-3-yl)methyl]-5-methyl-1,3-thiazole-4-carboxamide
CID 111597345
2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbohydrazide
CID 43244788
1-[[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544803
N-(3-amino-2-methylpropyl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide
CID 119997754
2-(furan-2-yl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-methyl-1,3-thiazole-4-carboxamide
CID 51934328
2-(furan-2-yl)-N-(2-methoxyethoxy)-5-methyl-1,3-thiazole-4-carboxamide
CID 79676397
2-(furan-2-yl)-N-(4-hydroxypentyl)-5-methyl-1,3-thiazole-4-carboxamide
CID 107299887
2-(furan-2-yl)-5-methyl-N-[4-(propylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 55893940
2-(furan-2-yl)-5-methyl-N-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide
CID 43055913
N-[[4-(carbamoylamino)phenyl]methyl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide
CID 134054764
N-[2-(aminomethyl)cyclohexyl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119610162

Frequently Asked Questions

What is the IUPAC name of 1-[[[2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[[2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid (CID 120544577) is 1-[[[2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[[2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[[2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid is Cc1sc(-c2ccco2)nc1C(=O)NCC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[[[2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is PQUBFHUBIJTXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-11-13(19-15(24-11)12-6-5-9-23-12)14(20)18-10-17(16(21)22)7-3-2-4-8-17/h5-6,9H,2-4,7-8,10H2,1H3,(H,18,20)(H,21,22).
What are the key properties of 1-[[[2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid?
1-[[[2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 348.42 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120544577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).