2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyimino-N-(oxolan-2-ylmethyl)acetamide

C10H14N4O3S — CID 71965749

IUPAC2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyimino-N-(oxolan-2-ylmethyl)acetamide
SMILESNc1nc(C(=NO)C(=O)NCC2CCCO2)cs1
InChIInChI=1S/C10H14N4O3S/c11-10-13-7(5-18-10)8(14-16)9(15)12-4-6-2-1-3-17-6/h5-6,16H,1-4H2,(H2,11,13)(H,12,15)
InChIKeyXUSQFZAXCUNUGJ-UHFFFAOYSA-N
MW270.31 g/mol
LogP0.20
Rot. Bonds4

About 2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyimino-N-(oxolan-2-ylmethyl)acetamide

2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyimino-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 71965749) has the molecular formula C10H14N4O3S and a molecular weight of 270.31 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyimino-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyimino-N-(oxolan-2-ylmethyl)acetamide
PubChem CID71965749
Molecular FormulaC10H14N4O3S
Molecular Weight270.31 g/mol
Exact Mass270.08
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyimino-N-(oxolan-2-ylmethyl)acetamide
SMILESNc1nc(C(=NO)C(=O)NCC2CCCO2)cs1
InChIInChI=1S/C10H14N4O3S/c11-10-13-7(5-18-10)8(14-16)9(15)12-4-6-2-1-3-17-6/h5-6,16H,1-4H2,(H2,11,13)(H,12,15)
InChIKeyXUSQFZAXCUNUGJ-UHFFFAOYSA-N
XLogP0.20
TPSA109.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyimino-N-(oxolan-2-ylmethyl)acetamide 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-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl](15N)amino]acetic acid
CID 172922622
2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyimino-N-(3-morpholin-4-ylpropyl)acetamide
CID 71965716
(2Z)-2-(2-amino-1,3-thiazol-4-yl)-N-[2-(diethylamino)ethyl]-2-hydroxyiminoacetamide
CID 40690239
2-amino-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 82171903
2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 4668561
N'-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 99801698
2-[(oxan-2-ylmethylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66379785
5-ethyl-N-(oxolan-2-ylmethyl)thiophene-3-carboxamide
CID 17191153
2-amino-4-methyl-N-(oxan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 62792958
4-amino-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 723405
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide
CID 18201879
2-amino-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 118741565

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyimino-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyimino-N-(oxolan-2-ylmethyl)acetamide (CID 71965749) is 2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyimino-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyimino-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyimino-N-(oxolan-2-ylmethyl)acetamide is Nc1nc(C(=NO)C(=O)NCC2CCCO2)cs1.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyimino-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is XUSQFZAXCUNUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3S/c11-10-13-7(5-18-10)8(14-16)9(15)12-4-6-2-1-3-17-6/h5-6,16H,1-4H2,(H2,11,13)(H,12,15).
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyimino-N-(oxolan-2-ylmethyl)acetamide?
2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyimino-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 270.31 g/mol, XLogP of 0.20, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyimino-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 71965749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).