3-(cyclohexylmethyl)-4-methyl-N-pyridin-3-yl-1,3-thiazol-2-imine

C16H21N3S — CID 3899146

IUPAC3-(cyclohexylmethyl)-4-methyl-N-pyridin-3-yl-1,3-thiazol-2-imine
SMILESCc1cs/c(=N\c2cccnc2)n1CC1CCCCC1
InChIInChI=1S/C16H21N3S/c1-13-12-20-16(18-15-8-5-9-17-10-15)19(13)11-14-6-3-2-4-7-14/h5,8-10,12,14H,2-4,6-7,11H2,1H3/b18-16-
InChIKeyRIXLRVOYIDGBIW-VLGSPTGOSA-N
MW287.43 g/mol
LogP4.07
Rot. Bonds3

About 3-(cyclohexylmethyl)-4-methyl-N-pyridin-3-yl-1,3-thiazol-2-imine

3-(cyclohexylmethyl)-4-methyl-N-pyridin-3-yl-1,3-thiazol-2-imine (PubChem CID 3899146) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is 3-(cyclohexylmethyl)-4-methyl-N-pyridin-3-yl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-(cyclohexylmethyl)-4-methyl-N-pyridin-3-yl-1,3-thiazol-2-imine
PubChem CID3899146
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC Name3-(cyclohexylmethyl)-4-methyl-N-pyridin-3-yl-1,3-thiazol-2-imine
SMILESCc1cs/c(=N\c2cccnc2)n1CC1CCCCC1
InChIInChI=1S/C16H21N3S/c1-13-12-20-16(18-15-8-5-9-17-10-15)19(13)11-14-6-3-2-4-7-14/h5,8-10,12,14H,2-4,6-7,11H2,1H3/b18-16-
InChIKeyRIXLRVOYIDGBIW-VLGSPTGOSA-N
XLogP4.07
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethyl)-4-methyl-N-pyridin-3-yl-1,3-thiazol-2-imine?
The IUPAC name of 3-(cyclohexylmethyl)-4-methyl-N-pyridin-3-yl-1,3-thiazol-2-imine (CID 3899146) is 3-(cyclohexylmethyl)-4-methyl-N-pyridin-3-yl-1,3-thiazol-2-imine.
What is the SMILES notation for 3-(cyclohexylmethyl)-4-methyl-N-pyridin-3-yl-1,3-thiazol-2-imine?
The canonical SMILES for 3-(cyclohexylmethyl)-4-methyl-N-pyridin-3-yl-1,3-thiazol-2-imine is Cc1cs/c(=N\c2cccnc2)n1CC1CCCCC1.
What is the InChIKey of 3-(cyclohexylmethyl)-4-methyl-N-pyridin-3-yl-1,3-thiazol-2-imine?
The InChIKey is RIXLRVOYIDGBIW-VLGSPTGOSA-N. The full InChI is InChI=1S/C16H21N3S/c1-13-12-20-16(18-15-8-5-9-17-10-15)19(13)11-14-6-3-2-4-7-14/h5,8-10,12,14H,2-4,6-7,11H2,1H3/b18-16-.
What are the key properties of 3-(cyclohexylmethyl)-4-methyl-N-pyridin-3-yl-1,3-thiazol-2-imine?
3-(cyclohexylmethyl)-4-methyl-N-pyridin-3-yl-1,3-thiazol-2-imine has a molecular weight of 287.43 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethyl)-4-methyl-N-pyridin-3-yl-1,3-thiazol-2-imine is sourced from PubChem (CID 3899146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).