3-amino-3-hydroxyimino-2,2-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide

C10H16N4O2S — CID 76921357

IUPAC3-amino-3-hydroxyimino-2,2-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
SMILESCc1nc(CNC(=O)C(C)(C)C(N)=NO)cs1
InChIInChI=1S/C10H16N4O2S/c1-6-13-7(5-17-6)4-12-9(15)10(2,3)8(11)14-16/h5,16H,4H2,1-3H3,(H2,11,14)(H,12,15)
InChIKeyOZCJNNUSLXGRBW-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.84
Rot. Bonds4

About 3-amino-3-hydroxyimino-2,2-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide

3-amino-3-hydroxyimino-2,2-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide (PubChem CID 76921357) has the molecular formula C10H16N4O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is 3-amino-3-hydroxyimino-2,2-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-amino-3-hydroxyimino-2,2-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
PubChem CID76921357
Molecular FormulaC10H16N4O2S
Molecular Weight256.33 g/mol
Exact Mass256.10
IUPAC Name3-amino-3-hydroxyimino-2,2-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
SMILESCc1nc(CNC(=O)C(C)(C)C(N)=NO)cs1
InChIInChI=1S/C10H16N4O2S/c1-6-13-7(5-17-6)4-12-9(15)10(2,3)8(11)14-16/h5,16H,4H2,1-3H3,(H2,11,14)(H,12,15)
InChIKeyOZCJNNUSLXGRBW-UHFFFAOYSA-N
XLogP0.84
TPSA100.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3Z)-3-amino-3-hydroxyimino-2,2-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 63241744
1-(N'-hydroxycarbamimidoyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 80596720
2-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 63680112
2-amino-2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 83620151
1-(N'-hydroxycarbamimidoyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide
CID 76921358
2-[(2-amino-2-oxoethyl)-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoyl]amino]acetic acid
CID 107438329
3-amino-3-hydroxyimino-2,2-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
CID 106405904
2,2,2-trifluoroethyl N-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamate
CID 47065587
3-(tert-butylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
CID 61283822
N,2,2-trimethyl-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanamide
CID 115748996
2-(N'-hydroxycarbamimidoyl)-2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butanamide
CID 113270800
3-amino-3-hydroxyimino-2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide
CID 76920376

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-hydroxyimino-2,2-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide?
The IUPAC name of 3-amino-3-hydroxyimino-2,2-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide (CID 76921357) is 3-amino-3-hydroxyimino-2,2-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide.
What is the SMILES notation for 3-amino-3-hydroxyimino-2,2-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide?
The canonical SMILES for 3-amino-3-hydroxyimino-2,2-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide is Cc1nc(CNC(=O)C(C)(C)C(N)=NO)cs1.
What is the InChIKey of 3-amino-3-hydroxyimino-2,2-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide?
The InChIKey is OZCJNNUSLXGRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S/c1-6-13-7(5-17-6)4-12-9(15)10(2,3)8(11)14-16/h5,16H,4H2,1-3H3,(H2,11,14)(H,12,15).
What are the key properties of 3-amino-3-hydroxyimino-2,2-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide?
3-amino-3-hydroxyimino-2,2-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide has a molecular weight of 256.33 g/mol, XLogP of 0.84, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-hydroxyimino-2,2-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide is sourced from PubChem (CID 76921357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).