2-[(Z)-N'-hydroxycarbamimidoyl]-3-methyl-N-(1,3-thiazol-4-ylmethyl)butanamide

C10H16N4O2S — CID 55259705

IUPAC2-[(Z)-N'-hydroxycarbamimidoyl]-3-methyl-N-(1,3-thiazol-4-ylmethyl)butanamide
SMILESCC(C)C(C(=O)NCc1cscn1)/C(N)=N/O
InChIInChI=1S/C10H16N4O2S/c1-6(2)8(9(11)14-16)10(15)12-3-7-4-17-5-13-7/h4-6,8,16H,3H2,1-2H3,(H2,11,14)(H,12,15)
InChIKeyBFZQZOROPNRBTE-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.78
Rot. Bonds5

About 2-[(Z)-N'-hydroxycarbamimidoyl]-3-methyl-N-(1,3-thiazol-4-ylmethyl)butanamide

2-[(Z)-N'-hydroxycarbamimidoyl]-3-methyl-N-(1,3-thiazol-4-ylmethyl)butanamide (PubChem CID 55259705) has the molecular formula C10H16N4O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-[(Z)-N'-hydroxycarbamimidoyl]-3-methyl-N-(1,3-thiazol-4-ylmethyl)butanamide.

Molecular Properties

Compound Name2-[(Z)-N'-hydroxycarbamimidoyl]-3-methyl-N-(1,3-thiazol-4-ylmethyl)butanamide
PubChem CID55259705
Molecular FormulaC10H16N4O2S
Molecular Weight256.33 g/mol
Exact Mass256.10
IUPAC Name2-[(Z)-N'-hydroxycarbamimidoyl]-3-methyl-N-(1,3-thiazol-4-ylmethyl)butanamide
SMILESCC(C)C(C(=O)NCc1cscn1)/C(N)=N/O
InChIInChI=1S/C10H16N4O2S/c1-6(2)8(9(11)14-16)10(15)12-3-7-4-17-5-13-7/h4-6,8,16H,3H2,1-2H3,(H2,11,14)(H,12,15)
InChIKeyBFZQZOROPNRBTE-UHFFFAOYSA-N
XLogP0.78
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 ≤ 50.78
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'}

Analyze 2-[(Z)-N'-hydroxycarbamimidoyl]-3-methyl-N-(1,3-thiazol-4-ylmethyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-N'-hydroxycarbamimidoyl]-3-methyl-N-(1,3-thiazol-4-ylmethyl)butanamide?
The IUPAC name of 2-[(Z)-N'-hydroxycarbamimidoyl]-3-methyl-N-(1,3-thiazol-4-ylmethyl)butanamide (CID 55259705) is 2-[(Z)-N'-hydroxycarbamimidoyl]-3-methyl-N-(1,3-thiazol-4-ylmethyl)butanamide.
What is the SMILES notation for 2-[(Z)-N'-hydroxycarbamimidoyl]-3-methyl-N-(1,3-thiazol-4-ylmethyl)butanamide?
The canonical SMILES for 2-[(Z)-N'-hydroxycarbamimidoyl]-3-methyl-N-(1,3-thiazol-4-ylmethyl)butanamide is CC(C)C(C(=O)NCc1cscn1)/C(N)=N/O.
What is the InChIKey of 2-[(Z)-N'-hydroxycarbamimidoyl]-3-methyl-N-(1,3-thiazol-4-ylmethyl)butanamide?
The InChIKey is BFZQZOROPNRBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S/c1-6(2)8(9(11)14-16)10(15)12-3-7-4-17-5-13-7/h4-6,8,16H,3H2,1-2H3,(H2,11,14)(H,12,15).
What are the key properties of 2-[(Z)-N'-hydroxycarbamimidoyl]-3-methyl-N-(1,3-thiazol-4-ylmethyl)butanamide?
2-[(Z)-N'-hydroxycarbamimidoyl]-3-methyl-N-(1,3-thiazol-4-ylmethyl)butanamide has a molecular weight of 256.33 g/mol, XLogP of 0.78, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-N'-hydroxycarbamimidoyl]-3-methyl-N-(1,3-thiazol-4-ylmethyl)butanamide is sourced from PubChem (CID 55259705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).