N'-(4,5-dipropyl-1,3-thiazol-2-yl)ethanimidamide

C11H19N3S — CID 163924311

IUPACN'-(4,5-dipropyl-1,3-thiazol-2-yl)ethanimidamide
SMILESCCCc1nc(N=C(C)N)sc1CCC
InChIInChI=1S/C11H19N3S/c1-4-6-9-10(7-5-2)15-11(14-9)13-8(3)12/h4-7H2,1-3H3,(H2,12,13,14)
InChIKeyRDDOOJZPECJWMF-UHFFFAOYSA-N
MW225.36 g/mol
LogP3.06
Rot. Bonds5

About N'-(4,5-dipropyl-1,3-thiazol-2-yl)ethanimidamide

N'-(4,5-dipropyl-1,3-thiazol-2-yl)ethanimidamide (PubChem CID 163924311) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is N'-(4,5-dipropyl-1,3-thiazol-2-yl)ethanimidamide.

Molecular Properties

Compound NameN'-(4,5-dipropyl-1,3-thiazol-2-yl)ethanimidamide
PubChem CID163924311
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC NameN'-(4,5-dipropyl-1,3-thiazol-2-yl)ethanimidamide
SMILESCCCc1nc(N=C(C)N)sc1CCC
InChIInChI=1S/C11H19N3S/c1-4-6-9-10(7-5-2)15-11(14-9)13-8(3)12/h4-7H2,1-3H3,(H2,12,13,14)
InChIKeyRDDOOJZPECJWMF-UHFFFAOYSA-N
XLogP3.06
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(4,5-dipropyl-1,3-thiazol-2-yl)ethanimidamide?
The IUPAC name of N'-(4,5-dipropyl-1,3-thiazol-2-yl)ethanimidamide (CID 163924311) is N'-(4,5-dipropyl-1,3-thiazol-2-yl)ethanimidamide.
What is the SMILES notation for N'-(4,5-dipropyl-1,3-thiazol-2-yl)ethanimidamide?
The canonical SMILES for N'-(4,5-dipropyl-1,3-thiazol-2-yl)ethanimidamide is CCCc1nc(N=C(C)N)sc1CCC.
What is the InChIKey of N'-(4,5-dipropyl-1,3-thiazol-2-yl)ethanimidamide?
The InChIKey is RDDOOJZPECJWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-4-6-9-10(7-5-2)15-11(14-9)13-8(3)12/h4-7H2,1-3H3,(H2,12,13,14).
What are the key properties of N'-(4,5-dipropyl-1,3-thiazol-2-yl)ethanimidamide?
N'-(4,5-dipropyl-1,3-thiazol-2-yl)ethanimidamide has a molecular weight of 225.36 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,5-dipropyl-1,3-thiazol-2-yl)ethanimidamide is sourced from PubChem (CID 163924311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).