N-(4-amino-4-hydroxyiminobutyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide

C10H16N4O2S — CID 114034085

IUPACN-(4-amino-4-hydroxyiminobutyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCCCC(N)=NO)s1
InChIInChI=1S/C10H16N4O2S/c1-6-9(17-7(2)13-6)10(15)12-5-3-4-8(11)14-16/h16H,3-5H2,1-2H3,(H2,11,14)(H,12,15)
InChIKeyHPEQWQAQODBXBV-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.02
Rot. Bonds5

About N-(4-amino-4-hydroxyiminobutyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide

N-(4-amino-4-hydroxyiminobutyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 114034085) has the molecular formula C10H16N4O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is N-(4-amino-4-hydroxyiminobutyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-amino-4-hydroxyiminobutyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID114034085
Molecular FormulaC10H16N4O2S
Molecular Weight256.33 g/mol
Exact Mass256.10
IUPAC NameN-(4-amino-4-hydroxyiminobutyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCCCC(N)=NO)s1
InChIInChI=1S/C10H16N4O2S/c1-6-9(17-7(2)13-6)10(15)12-5-3-4-8(11)14-16/h16H,3-5H2,1-2H3,(H2,11,14)(H,12,15)
InChIKeyHPEQWQAQODBXBV-UHFFFAOYSA-N
XLogP1.02
TPSA100.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

3-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 43240530
N-(4-amino-4-hydroxyiminobutyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 76952772
N-(4-amino-4-hydroxyiminobutyl)-4-methylbenzamide
CID 76947565
N-[2-(cyclopropylamino)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 103806373
N-(4-amino-4-hydroxyiminobutyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 77037575
ethyl 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]acetate
CID 47257222
N-(2-amino-2-ethylbutyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 113265867
N-(4-amino-4-hydroxyiminobutyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 77113223
N-[(4Z)-4-amino-4-hydroxyiminobutyl]-5-ethylthiophene-2-carboxamide
CID 55102308
N-(2-bromoprop-2-enyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 115594438
3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N'-hydroxypropanimidamide
CID 77031825
N-[(4Z)-4-amino-4-hydroxyiminobutyl]-3-methylimidazole-4-carboxamide
CID 103511885

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-hydroxyiminobutyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(4-amino-4-hydroxyiminobutyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide (CID 114034085) is N-(4-amino-4-hydroxyiminobutyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(4-amino-4-hydroxyiminobutyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(4-amino-4-hydroxyiminobutyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)NCCCC(N)=NO)s1.
What is the InChIKey of N-(4-amino-4-hydroxyiminobutyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is HPEQWQAQODBXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S/c1-6-9(17-7(2)13-6)10(15)12-5-3-4-8(11)14-16/h16H,3-5H2,1-2H3,(H2,11,14)(H,12,15).
What are the key properties of N-(4-amino-4-hydroxyiminobutyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
N-(4-amino-4-hydroxyiminobutyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 256.33 g/mol, XLogP of 1.02, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-4-hydroxyiminobutyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 114034085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).