4-methyl-N-(4-propan-2-ylphenyl)-3-(2-pyridin-2-ylethyl)-1,3-thiazol-2-imine

C20H23N3S — CID 23996371

IUPAC4-methyl-N-(4-propan-2-ylphenyl)-3-(2-pyridin-2-ylethyl)-1,3-thiazol-2-imine
SMILESCc1cs/c(=N\c2ccc(C(C)C)cc2)n1CCc1ccccn1
InChIInChI=1S/C20H23N3S/c1-15(2)17-7-9-19(10-8-17)22-20-23(16(3)14-24-20)13-11-18-6-4-5-12-21-18/h4-10,12,14-15H,11,13H2,1-3H3/b22-20-
InChIKeyDUCFSZPBZBTTKI-XDOYNYLZSA-N
MW337.49 g/mol
LogP4.85
Rot. Bonds5

About 4-methyl-N-(4-propan-2-ylphenyl)-3-(2-pyridin-2-ylethyl)-1,3-thiazol-2-imine

4-methyl-N-(4-propan-2-ylphenyl)-3-(2-pyridin-2-ylethyl)-1,3-thiazol-2-imine (PubChem CID 23996371) has the molecular formula C20H23N3S and a molecular weight of 337.49 g/mol. Its IUPAC name is 4-methyl-N-(4-propan-2-ylphenyl)-3-(2-pyridin-2-ylethyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-methyl-N-(4-propan-2-ylphenyl)-3-(2-pyridin-2-ylethyl)-1,3-thiazol-2-imine
PubChem CID23996371
Molecular FormulaC20H23N3S
Molecular Weight337.49 g/mol
Exact Mass337.16
IUPAC Name4-methyl-N-(4-propan-2-ylphenyl)-3-(2-pyridin-2-ylethyl)-1,3-thiazol-2-imine
SMILESCc1cs/c(=N\c2ccc(C(C)C)cc2)n1CCc1ccccn1
InChIInChI=1S/C20H23N3S/c1-15(2)17-7-9-19(10-8-17)22-20-23(16(3)14-24-20)13-11-18-6-4-5-12-21-18/h4-10,12,14-15H,11,13H2,1-3H3/b22-20-
InChIKeyDUCFSZPBZBTTKI-XDOYNYLZSA-N
XLogP4.85
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 54.85
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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Related Compounds

N-(2,5-dimethylphenyl)-4-methyl-3-(2-pyridin-2-ylethyl)-1,3-thiazol-2-imine
CID 23826269
1,5-dimethyl-4-[[4-methyl-3-(2-pyridin-2-ylethyl)-1,3-thiazol-2-ylidene]amino]-2-phenylpyrazol-3-one
CID 23821574
N-(3,4-dichlorophenyl)-3-(2-pyridin-2-ylethyl)-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23904895
N-(3-methylphenyl)-3-(2-pyridin-2-ylethyl)-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23790168
4-(1-benzofuran-2-yl)-N-phenyl-3-(2-pyridin-2-ylethyl)-1,3-thiazol-2-imine
CID 23913019
4-(2-bromophenyl)-N-(4-fluorophenyl)-3-(2-pyridin-2-ylethyl)-1,3-thiazol-2-imine
CID 23769515
4-(1-benzofuran-2-yl)-N-(3-methoxyphenyl)-3-(2-pyridin-2-ylethyl)-1,3-thiazol-2-imine
CID 23934250
4-methyl-3-pentyl-N-pyridin-3-yl-1,3-thiazol-2-imine
CID 56972596
6-chloro-2-propan-2-yl-3-(2-pyridin-2-ylethyl)pyrimidin-4-one
CID 114584819
1-(4-propan-2-ylphenyl)-3-pyridin-2-ylpropan-1-one
CID 105097579
N-(4-ethylphenyl)-4-methyl-3-(2-methylpropyl)-1,3-thiazol-2-imine
CID 56972580
N,N-diethyl-3-(4-methyl-2-phenylimino-1,3-thiazol-3-yl)propan-1-amine
CID 23996772

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-propan-2-ylphenyl)-3-(2-pyridin-2-ylethyl)-1,3-thiazol-2-imine?
The IUPAC name of 4-methyl-N-(4-propan-2-ylphenyl)-3-(2-pyridin-2-ylethyl)-1,3-thiazol-2-imine (CID 23996371) is 4-methyl-N-(4-propan-2-ylphenyl)-3-(2-pyridin-2-ylethyl)-1,3-thiazol-2-imine.
What is the SMILES notation for 4-methyl-N-(4-propan-2-ylphenyl)-3-(2-pyridin-2-ylethyl)-1,3-thiazol-2-imine?
The canonical SMILES for 4-methyl-N-(4-propan-2-ylphenyl)-3-(2-pyridin-2-ylethyl)-1,3-thiazol-2-imine is Cc1cs/c(=N\c2ccc(C(C)C)cc2)n1CCc1ccccn1.
What is the InChIKey of 4-methyl-N-(4-propan-2-ylphenyl)-3-(2-pyridin-2-ylethyl)-1,3-thiazol-2-imine?
The InChIKey is DUCFSZPBZBTTKI-XDOYNYLZSA-N. The full InChI is InChI=1S/C20H23N3S/c1-15(2)17-7-9-19(10-8-17)22-20-23(16(3)14-24-20)13-11-18-6-4-5-12-21-18/h4-10,12,14-15H,11,13H2,1-3H3/b22-20-.
What are the key properties of 4-methyl-N-(4-propan-2-ylphenyl)-3-(2-pyridin-2-ylethyl)-1,3-thiazol-2-imine?
4-methyl-N-(4-propan-2-ylphenyl)-3-(2-pyridin-2-ylethyl)-1,3-thiazol-2-imine has a molecular weight of 337.49 g/mol, XLogP of 4.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-propan-2-ylphenyl)-3-(2-pyridin-2-ylethyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 23996371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).