4-[[(2-amino-1,3-thiazole-4-carbonyl)amino]methyl]oxane-4-carboxylic acid

C11H15N3O4S — CID 115439957

IUPAC4-[[(2-amino-1,3-thiazole-4-carbonyl)amino]methyl]oxane-4-carboxylic acid
SMILESNc1nc(C(=O)NCC2(C(=O)O)CCOCC2)cs1
InChIInChI=1S/C11H15N3O4S/c12-10-14-7(5-19-10)8(15)13-6-11(9(16)17)1-3-18-4-2-11/h5H,1-4,6H2,(H2,12,14)(H,13,15)(H,16,17)
InChIKeyRSGZOZNUEUMINQ-UHFFFAOYSA-N
MW285.32 g/mol
LogP0.34
Rot. Bonds4

About 4-[[(2-amino-1,3-thiazole-4-carbonyl)amino]methyl]oxane-4-carboxylic acid

4-[[(2-amino-1,3-thiazole-4-carbonyl)amino]methyl]oxane-4-carboxylic acid (PubChem CID 115439957) has the molecular formula C11H15N3O4S and a molecular weight of 285.32 g/mol. Its IUPAC name is 4-[[(2-amino-1,3-thiazole-4-carbonyl)amino]methyl]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[[(2-amino-1,3-thiazole-4-carbonyl)amino]methyl]oxane-4-carboxylic acid
PubChem CID115439957
Molecular FormulaC11H15N3O4S
Molecular Weight285.32 g/mol
Exact Mass285.08
IUPAC Name4-[[(2-amino-1,3-thiazole-4-carbonyl)amino]methyl]oxane-4-carboxylic acid
SMILESNc1nc(C(=O)NCC2(C(=O)O)CCOCC2)cs1
InChIInChI=1S/C11H15N3O4S/c12-10-14-7(5-19-10)8(15)13-6-11(9(16)17)1-3-18-4-2-11/h5H,1-4,6H2,(H2,12,14)(H,13,15)(H,16,17)
InChIKeyRSGZOZNUEUMINQ-UHFFFAOYSA-N
XLogP0.34
TPSA114.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 113312244
2-amino-N-[(1-hydroxycyclopentyl)methyl]-1,3-thiazole-4-carboxamide
CID 65106580
4-[[[2-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120542701
4-[[(4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 115438507
1-[[(2-acetamido-1,3-thiazole-4-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115445121
1-[[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115433669
N-[(4-carbamoyloxan-4-yl)methyl]-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 56808469
4-[[(6-oxo-1H-pyrazine-3-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 115438340
2-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1,3-thiazole-4-carboxamide
CID 65120198
2-amino-N-[(1-pyridin-2-ylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide
CID 110483352
4-[[(2-methylcyclopentene-1-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 120542195
4-[[(2-methyl-1,3-benzothiazole-7-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 166295834

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-amino-1,3-thiazole-4-carbonyl)amino]methyl]oxane-4-carboxylic acid?
The IUPAC name of 4-[[(2-amino-1,3-thiazole-4-carbonyl)amino]methyl]oxane-4-carboxylic acid (CID 115439957) is 4-[[(2-amino-1,3-thiazole-4-carbonyl)amino]methyl]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[[(2-amino-1,3-thiazole-4-carbonyl)amino]methyl]oxane-4-carboxylic acid?
The canonical SMILES for 4-[[(2-amino-1,3-thiazole-4-carbonyl)amino]methyl]oxane-4-carboxylic acid is Nc1nc(C(=O)NCC2(C(=O)O)CCOCC2)cs1.
What is the InChIKey of 4-[[(2-amino-1,3-thiazole-4-carbonyl)amino]methyl]oxane-4-carboxylic acid?
The InChIKey is RSGZOZNUEUMINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4S/c12-10-14-7(5-19-10)8(15)13-6-11(9(16)17)1-3-18-4-2-11/h5H,1-4,6H2,(H2,12,14)(H,13,15)(H,16,17).
What are the key properties of 4-[[(2-amino-1,3-thiazole-4-carbonyl)amino]methyl]oxane-4-carboxylic acid?
4-[[(2-amino-1,3-thiazole-4-carbonyl)amino]methyl]oxane-4-carboxylic acid has a molecular weight of 285.32 g/mol, XLogP of 0.34, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-amino-1,3-thiazole-4-carbonyl)amino]methyl]oxane-4-carboxylic acid is sourced from PubChem (CID 115439957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).