5-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid

C10H11N3O4S — CID 107427190

IUPAC5-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESCc1ncsc1CNC(=O)C1CC(C(=O)O)=NO1
InChIInChI=1S/C10H11N3O4S/c1-5-8(18-4-12-5)3-11-9(14)7-2-6(10(15)16)13-17-7/h4,7H,2-3H2,1H3,(H,11,14)(H,15,16)
InChIKeyCAEQOSSNVZCFDA-UHFFFAOYSA-N
MW269.28 g/mol
LogP0.30
Rot. Bonds4

About 5-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid

5-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid (PubChem CID 107427190) has the molecular formula C10H11N3O4S and a molecular weight of 269.28 g/mol. Its IUPAC name is 5-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
PubChem CID107427190
Molecular FormulaC10H11N3O4S
Molecular Weight269.28 g/mol
Exact Mass269.05
IUPAC Name5-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESCc1ncsc1CNC(=O)C1CC(C(=O)O)=NO1
InChIInChI=1S/C10H11N3O4S/c1-5-8(18-4-12-5)3-11-9(14)7-2-6(10(15)16)13-17-7/h4,7H,2-3H2,1H3,(H,11,14)(H,15,16)
InChIKeyCAEQOSSNVZCFDA-UHFFFAOYSA-N
XLogP0.30
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide
CID 136529761
2,2-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 63373273
5-[[2-(diethylamino)-2-oxoethyl]carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427469
2-amino-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide
CID 64822507
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 78941991
N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 63373165
5-[3-(ethylamino)propylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107426838
5-[2-(4-methylpyrazol-1-yl)ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 114131892
4-[(4-methyl-1,3-thiazol-5-yl)methylamino]-4-oxobutanoic acid
CID 63280743
2-[2-[(4-methyl-1,3-thiazol-5-yl)methylamino]-2-oxoethoxy]acetic acid
CID 63281019
5-[2-[ethyl(methyl)amino]ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427121
2-bromo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 63681267

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid (CID 107427190) is 5-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid is Cc1ncsc1CNC(=O)C1CC(C(=O)O)=NO1.
What is the InChIKey of 5-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The InChIKey is CAEQOSSNVZCFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4S/c1-5-8(18-4-12-5)3-11-9(14)7-2-6(10(15)16)13-17-7/h4,7H,2-3H2,1H3,(H,11,14)(H,15,16).
What are the key properties of 5-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
5-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid has a molecular weight of 269.28 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 107427190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).