N-(3-amino-3-hydroxyiminopropyl)-2-methyl-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide

C12H20N4O2S — CID 77059352

IUPACN-(3-amino-3-hydroxyiminopropyl)-2-methyl-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)N(CCC(N)=NO)CC(C)C)cs1
InChIInChI=1S/C12H20N4O2S/c1-8(2)6-16(5-4-11(13)15-18)12(17)10-7-19-9(3)14-10/h7-8,18H,4-6H2,1-3H3,(H2,13,15)
InChIKeyGRKZTFQTEDSFHI-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.69
Rot. Bonds6

About N-(3-amino-3-hydroxyiminopropyl)-2-methyl-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide

N-(3-amino-3-hydroxyiminopropyl)-2-methyl-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide (PubChem CID 77059352) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyiminopropyl)-2-methyl-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyiminopropyl)-2-methyl-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
PubChem CID77059352
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC NameN-(3-amino-3-hydroxyiminopropyl)-2-methyl-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)N(CCC(N)=NO)CC(C)C)cs1
InChIInChI=1S/C12H20N4O2S/c1-8(2)6-16(5-4-11(13)15-18)12(17)10-7-19-9(3)14-10/h7-8,18H,4-6H2,1-3H3,(H2,13,15)
InChIKeyGRKZTFQTEDSFHI-UHFFFAOYSA-N
XLogP1.69
TPSA91.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.69
H-Bond Donors ≤ 52
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

N-(3-amino-3-hydroxyiminopropyl)-N,2-dimethyl-1,3-thiazole-4-carboxamide
CID 77059339
N-(3-amino-3-hydroxyiminopropyl)-N-(2-methylpropyl)thiadiazole-4-carboxamide
CID 77060547
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-(2-methylpropyl)pyrazine-2-carboxamide
CID 55049875
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2-methyl-1,3-thiazole-4-carboxamide
CID 77059342
N-(3-amino-3-hydroxyiminopropyl)-1,5-dimethyl-N-(2-methylpropyl)pyrazole-4-carboxamide
CID 76917312
N-(3-amino-3-hydroxyiminopropyl)-4-fluoro-N-(2-methylpropyl)benzamide
CID 76917276
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-(2-methylpropyl)pyridazine-4-carboxamide
CID 104671971
methyl 3-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-(2-methylpropyl)amino]propanoate
CID 66376689
N-(3-amino-3-hydroxyiminopropyl)-3-methyl-N-(2-methylpropyl)furan-2-carboxamide
CID 76917214
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-chloro-N-(2-methylpropyl)furan-3-carboxamide
CID 106689295
N-(3-amino-3-hydroxyiminopropyl)-2,3-dimethyl-N-(2-methylpropyl)butanamide
CID 77015683
2-amino-N-ethyl-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 62788372

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-2-methyl-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-2-methyl-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide (CID 77059352) is N-(3-amino-3-hydroxyiminopropyl)-2-methyl-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3-amino-3-hydroxyiminopropyl)-2-methyl-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3-amino-3-hydroxyiminopropyl)-2-methyl-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)N(CCC(N)=NO)CC(C)C)cs1.
What is the InChIKey of N-(3-amino-3-hydroxyiminopropyl)-2-methyl-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide?
The InChIKey is GRKZTFQTEDSFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-8(2)6-16(5-4-11(13)15-18)12(17)10-7-19-9(3)14-10/h7-8,18H,4-6H2,1-3H3,(H2,13,15).
What are the key properties of N-(3-amino-3-hydroxyiminopropyl)-2-methyl-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide?
N-(3-amino-3-hydroxyiminopropyl)-2-methyl-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide has a molecular weight of 284.38 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-hydroxyiminopropyl)-2-methyl-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 77059352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).