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

C11H18N4O2S — CID 63241744

IUPAC(3Z)-3-amino-3-hydroxyimino-2,2-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
SMILESCc1csc(CCNC(=O)C(C)(C)/C(N)=N/O)n1
InChIInChI=1S/C11H18N4O2S/c1-7-6-18-8(14-7)4-5-13-10(16)11(2,3)9(12)15-17/h6,17H,4-5H2,1-3H3,(H2,12,15)(H,13,16)
InChIKeyRZKSDPCCJWSYAF-UHFFFAOYSA-N
MW270.36 g/mol
LogP0.88
Rot. Bonds5

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

(3Z)-3-amino-3-hydroxyimino-2,2-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide (PubChem CID 63241744) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is (3Z)-3-amino-3-hydroxyimino-2,2-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name(3Z)-3-amino-3-hydroxyimino-2,2-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
PubChem CID63241744
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Name(3Z)-3-amino-3-hydroxyimino-2,2-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
SMILESCc1csc(CCNC(=O)C(C)(C)/C(N)=N/O)n1
InChIInChI=1S/C11H18N4O2S/c1-7-6-18-8(14-7)4-5-13-10(16)11(2,3)9(12)15-17/h6,17H,4-5H2,1-3H3,(H2,12,15)(H,13,16)
InChIKeyRZKSDPCCJWSYAF-UHFFFAOYSA-N
XLogP0.88
TPSA100.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 50.88
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

2,2-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 39071901
2-amino-2-ethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butanamide
CID 79813428
3-amino-3-hydroxyimino-2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 76988677
1-(N'-hydroxycarbamimidoyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclopropane-1-carboxamide
CID 80593721
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-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
CID 76921357
4-(N'-hydroxycarbamimidoyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]oxane-4-carboxamide
CID 76988675
3-amino-3-hydroxyimino-2,2-dimethyl-N-(2-pyridin-4-ylethyl)propanamide
CID 76920821
1-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 115579398
2-methyl-2-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanoic acid
CID 63241165
1-ethyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 47228479
(2R)-2-amino-4-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pentanamide
CID 95035833

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-amino-3-hydroxyimino-2,2-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide?
The IUPAC name of (3Z)-3-amino-3-hydroxyimino-2,2-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide (CID 63241744) is (3Z)-3-amino-3-hydroxyimino-2,2-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide.
What is the SMILES notation for (3Z)-3-amino-3-hydroxyimino-2,2-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide?
The canonical SMILES for (3Z)-3-amino-3-hydroxyimino-2,2-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide is Cc1csc(CCNC(=O)C(C)(C)/C(N)=N/O)n1.
What is the InChIKey of (3Z)-3-amino-3-hydroxyimino-2,2-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide?
The InChIKey is RZKSDPCCJWSYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-7-6-18-8(14-7)4-5-13-10(16)11(2,3)9(12)15-17/h6,17H,4-5H2,1-3H3,(H2,12,15)(H,13,16).
What are the key properties of (3Z)-3-amino-3-hydroxyimino-2,2-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide?
(3Z)-3-amino-3-hydroxyimino-2,2-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide has a molecular weight of 270.36 g/mol, XLogP of 0.88, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-amino-3-hydroxyimino-2,2-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide is sourced from PubChem (CID 63241744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).