N-[cyano(propoxy)methyl]-4-ethyl-2-methyl-1,3-thiazole-5-carboxamide

C12H17N3O2S — CID 14796165

IUPACN-[cyano(propoxy)methyl]-4-ethyl-2-methyl-1,3-thiazole-5-carboxamide
SMILESCCCOC(C#N)NC(=O)c1sc(C)nc1CC
InChIInChI=1S/C12H17N3O2S/c1-4-6-17-10(7-13)15-12(16)11-9(5-2)14-8(3)18-11/h10H,4-6H2,1-3H3,(H,15,16)
InChIKeyFKPVBULSUCPKKL-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.02
Rot. Bonds6

About N-[cyano(propoxy)methyl]-4-ethyl-2-methyl-1,3-thiazole-5-carboxamide

N-[cyano(propoxy)methyl]-4-ethyl-2-methyl-1,3-thiazole-5-carboxamide (PubChem CID 14796165) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is N-[cyano(propoxy)methyl]-4-ethyl-2-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[cyano(propoxy)methyl]-4-ethyl-2-methyl-1,3-thiazole-5-carboxamide
PubChem CID14796165
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC NameN-[cyano(propoxy)methyl]-4-ethyl-2-methyl-1,3-thiazole-5-carboxamide
SMILESCCCOC(C#N)NC(=O)c1sc(C)nc1CC
InChIInChI=1S/C12H17N3O2S/c1-4-6-17-10(7-13)15-12(16)11-9(5-2)14-8(3)18-11/h10H,4-6H2,1-3H3,(H,15,16)
InChIKeyFKPVBULSUCPKKL-UHFFFAOYSA-N
XLogP2.02
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[cyano(propoxy)methyl]-4-ethyl-2-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[cyano(propoxy)methyl]-4-ethyl-2-methyl-1,3-thiazole-5-carboxamide (CID 14796165) is N-[cyano(propoxy)methyl]-4-ethyl-2-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[cyano(propoxy)methyl]-4-ethyl-2-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[cyano(propoxy)methyl]-4-ethyl-2-methyl-1,3-thiazole-5-carboxamide is CCCOC(C#N)NC(=O)c1sc(C)nc1CC.
What is the InChIKey of N-[cyano(propoxy)methyl]-4-ethyl-2-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is FKPVBULSUCPKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-4-6-17-10(7-13)15-12(16)11-9(5-2)14-8(3)18-11/h10H,4-6H2,1-3H3,(H,15,16).
What are the key properties of N-[cyano(propoxy)methyl]-4-ethyl-2-methyl-1,3-thiazole-5-carboxamide?
N-[cyano(propoxy)methyl]-4-ethyl-2-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 267.35 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano(propoxy)methyl]-4-ethyl-2-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 14796165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).