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

C11H16N4O2S — CID 77059342

IUPACN-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)N(CCC(N)=NO)C2CC2)cs1
InChIInChI=1S/C11H16N4O2S/c1-7-13-9(6-18-7)11(16)15(8-2-3-8)5-4-10(12)14-17/h6,8,17H,2-5H2,1H3,(H2,12,14)
InChIKeyGOMQKJGZKBXTMI-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.19
Rot. Bonds5

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

N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 77059342) has the molecular formula C11H16N4O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID77059342
Molecular FormulaC11H16N4O2S
Molecular Weight268.34 g/mol
Exact Mass268.10
IUPAC NameN-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)N(CCC(N)=NO)C2CC2)cs1
InChIInChI=1S/C11H16N4O2S/c1-7-13-9(6-18-7)11(16)15(8-2-3-8)5-4-10(12)14-17/h6,8,17H,2-5H2,1H3,(H2,12,14)
InChIKeyGOMQKJGZKBXTMI-UHFFFAOYSA-N
XLogP1.19
TPSA91.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.19
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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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2-methyl-1,3-thiazole-4-carboxamide (CID 77059342) is N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2-methyl-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)N(CCC(N)=NO)C2CC2)cs1.
What is the InChIKey of N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is GOMQKJGZKBXTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S/c1-7-13-9(6-18-7)11(16)15(8-2-3-8)5-4-10(12)14-17/h6,8,17H,2-5H2,1H3,(H2,12,14).
What are the key properties of N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2-methyl-1,3-thiazole-4-carboxamide?
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 268.34 g/mol, XLogP of 1.19, 5 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)-N-cyclopropyl-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 77059342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).