(3Z)-3-amino-3-hydroxyimino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide

C8H12N4O2S — CID 109374476

IUPAC(3Z)-3-amino-3-hydroxyimino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
SMILESCc1ncc(CNC(=O)C/C(N)=N/O)s1
InChIInChI=1S/C8H12N4O2S/c1-5-10-3-6(15-5)4-11-8(13)2-7(9)12-14/h3,14H,2,4H2,1H3,(H2,9,12)(H,11,13)
InChIKeyWDFQSZNPHNNNTR-UHFFFAOYSA-N
MW228.28 g/mol
LogP0.20
Rot. Bonds4

About (3Z)-3-amino-3-hydroxyimino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide

(3Z)-3-amino-3-hydroxyimino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide (PubChem CID 109374476) has the molecular formula C8H12N4O2S and a molecular weight of 228.28 g/mol. Its IUPAC name is (3Z)-3-amino-3-hydroxyimino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide.

Molecular Properties

Compound Name(3Z)-3-amino-3-hydroxyimino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
PubChem CID109374476
Molecular FormulaC8H12N4O2S
Molecular Weight228.28 g/mol
Exact Mass228.07
IUPAC Name(3Z)-3-amino-3-hydroxyimino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
SMILESCc1ncc(CNC(=O)C/C(N)=N/O)s1
InChIInChI=1S/C8H12N4O2S/c1-5-10-3-6(15-5)4-11-8(13)2-7(9)12-14/h3,14H,2,4H2,1H3,(H2,9,12)(H,11,13)
InChIKeyWDFQSZNPHNNNTR-UHFFFAOYSA-N
XLogP0.20
TPSA100.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 50.20
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-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 61280250
3,3-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 86825746
3-amino-3-hydroxyimino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide
CID 106375701
(3Z)-3-amino-N-[(5-ethylthiophen-2-yl)methyl]-3-hydroxyiminopropanamide
CID 106014338
ethyl 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]-4-oxobutanoate
CID 61381264
N'-hydroxy-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanimidamide
CID 77031370
5-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide
CID 61280444
2-(2-hydroxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 78916971
N'-hydroxy-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]pentanimidamide
CID 77031820
2-(4-aminophenoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 61281777
2-(4-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 39855034
(2S)-2-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 79023293

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-amino-3-hydroxyimino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide?
The IUPAC name of (3Z)-3-amino-3-hydroxyimino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide (CID 109374476) is (3Z)-3-amino-3-hydroxyimino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide.
What is the SMILES notation for (3Z)-3-amino-3-hydroxyimino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide?
The canonical SMILES for (3Z)-3-amino-3-hydroxyimino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide is Cc1ncc(CNC(=O)C/C(N)=N/O)s1.
What is the InChIKey of (3Z)-3-amino-3-hydroxyimino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide?
The InChIKey is WDFQSZNPHNNNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2S/c1-5-10-3-6(15-5)4-11-8(13)2-7(9)12-14/h3,14H,2,4H2,1H3,(H2,9,12)(H,11,13).
What are the key properties of (3Z)-3-amino-3-hydroxyimino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide?
(3Z)-3-amino-3-hydroxyimino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide has a molecular weight of 228.28 g/mol, XLogP of 0.20, 4 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-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide is sourced from PubChem (CID 109374476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).