N-(cyanomethyl)-N-cyclopropyl-2-(2-ethyl-1,3-thiazol-4-yl)acetamide

C12H15N3OS — CID 51096982

IUPACN-(cyanomethyl)-N-cyclopropyl-2-(2-ethyl-1,3-thiazol-4-yl)acetamide
SMILESCCc1nc(CC(=O)N(CC#N)C2CC2)cs1
InChIInChI=1S/C12H15N3OS/c1-2-11-14-9(8-17-11)7-12(16)15(6-5-13)10-3-4-10/h8,10H,2-4,6-7H2,1H3
InChIKeyVPIJAKLHNUDDMR-UHFFFAOYSA-N
MW249.34 g/mol
LogP1.76
Rot. Bonds5

About N-(cyanomethyl)-N-cyclopropyl-2-(2-ethyl-1,3-thiazol-4-yl)acetamide

N-(cyanomethyl)-N-cyclopropyl-2-(2-ethyl-1,3-thiazol-4-yl)acetamide (PubChem CID 51096982) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is N-(cyanomethyl)-N-cyclopropyl-2-(2-ethyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-N-cyclopropyl-2-(2-ethyl-1,3-thiazol-4-yl)acetamide
PubChem CID51096982
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC NameN-(cyanomethyl)-N-cyclopropyl-2-(2-ethyl-1,3-thiazol-4-yl)acetamide
SMILESCCc1nc(CC(=O)N(CC#N)C2CC2)cs1
InChIInChI=1S/C12H15N3OS/c1-2-11-14-9(8-17-11)7-12(16)15(6-5-13)10-3-4-10/h8,10H,2-4,6-7H2,1H3
InChIKeyVPIJAKLHNUDDMR-UHFFFAOYSA-N
XLogP1.76
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-N-cyclopropyl-2-(2-ethyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(cyanomethyl)-N-cyclopropyl-2-(2-ethyl-1,3-thiazol-4-yl)acetamide (CID 51096982) is N-(cyanomethyl)-N-cyclopropyl-2-(2-ethyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(cyanomethyl)-N-cyclopropyl-2-(2-ethyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(cyanomethyl)-N-cyclopropyl-2-(2-ethyl-1,3-thiazol-4-yl)acetamide is CCc1nc(CC(=O)N(CC#N)C2CC2)cs1.
What is the InChIKey of N-(cyanomethyl)-N-cyclopropyl-2-(2-ethyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is VPIJAKLHNUDDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-2-11-14-9(8-17-11)7-12(16)15(6-5-13)10-3-4-10/h8,10H,2-4,6-7H2,1H3.
What are the key properties of N-(cyanomethyl)-N-cyclopropyl-2-(2-ethyl-1,3-thiazol-4-yl)acetamide?
N-(cyanomethyl)-N-cyclopropyl-2-(2-ethyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 249.34 g/mol, XLogP of 1.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-N-cyclopropyl-2-(2-ethyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 51096982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).