3-cyclohexyl-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylideneamino]propanamide

C16H25N3OS — CID 54388875

IUPAC3-cyclohexyl-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylideneamino]propanamide
SMILESCC(=NNC(=O)CCC1CCCCC1)c1sc(C)nc1C
InChIInChI=1S/C16H25N3OS/c1-11-16(21-13(3)17-11)12(2)18-19-15(20)10-9-14-7-5-4-6-8-14/h14H,4-10H2,1-3H3,(H,19,20)
InChIKeyVFEYOAOPVNSBGK-UHFFFAOYSA-N
MW307.46 g/mol
LogP3.96
Rot. Bonds5

About 3-cyclohexyl-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylideneamino]propanamide

3-cyclohexyl-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylideneamino]propanamide (PubChem CID 54388875) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is 3-cyclohexyl-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylideneamino]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylideneamino]propanamide
PubChem CID54388875
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC Name3-cyclohexyl-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylideneamino]propanamide
SMILESCC(=NNC(=O)CCC1CCCCC1)c1sc(C)nc1C
InChIInChI=1S/C16H25N3OS/c1-11-16(21-13(3)17-11)12(2)18-19-15(20)10-9-14-7-5-4-6-8-14/h14H,4-10H2,1-3H3,(H,19,20)
InChIKeyVFEYOAOPVNSBGK-UHFFFAOYSA-N
XLogP3.96
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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 3-cyclohexyl-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylideneamino]propanamide?
The IUPAC name of 3-cyclohexyl-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylideneamino]propanamide (CID 54388875) is 3-cyclohexyl-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylideneamino]propanamide.
What is the SMILES notation for 3-cyclohexyl-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylideneamino]propanamide?
The canonical SMILES for 3-cyclohexyl-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylideneamino]propanamide is CC(=NNC(=O)CCC1CCCCC1)c1sc(C)nc1C.
What is the InChIKey of 3-cyclohexyl-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylideneamino]propanamide?
The InChIKey is VFEYOAOPVNSBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-11-16(21-13(3)17-11)12(2)18-19-15(20)10-9-14-7-5-4-6-8-14/h14H,4-10H2,1-3H3,(H,19,20).
What are the key properties of 3-cyclohexyl-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylideneamino]propanamide?
3-cyclohexyl-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylideneamino]propanamide has a molecular weight of 307.46 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylideneamino]propanamide is sourced from PubChem (CID 54388875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).