3-cyclopentyl-4-(furan-2-yl)-N-(4-methoxyphenyl)-1,3-thiazol-2-imine

C19H20N2O2S — CID 23906653

IUPAC3-cyclopentyl-4-(furan-2-yl)-N-(4-methoxyphenyl)-1,3-thiazol-2-imine
SMILESCOc1ccc(/N=c2\scc(-c3ccco3)n2C2CCCC2)cc1
InChIInChI=1S/C19H20N2O2S/c1-22-16-10-8-14(9-11-16)20-19-21(15-5-2-3-6-15)17(13-24-19)18-7-4-12-23-18/h4,7-13,15H,2-3,5-6H2,1H3/b20-19-
InChIKeySHVIVQRKRIBIET-VXPUYCOJSA-N
MW340.45 g/mol
LogP5.17
Rot. Bonds4

About 3-cyclopentyl-4-(furan-2-yl)-N-(4-methoxyphenyl)-1,3-thiazol-2-imine

3-cyclopentyl-4-(furan-2-yl)-N-(4-methoxyphenyl)-1,3-thiazol-2-imine (PubChem CID 23906653) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 3-cyclopentyl-4-(furan-2-yl)-N-(4-methoxyphenyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-cyclopentyl-4-(furan-2-yl)-N-(4-methoxyphenyl)-1,3-thiazol-2-imine
PubChem CID23906653
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name3-cyclopentyl-4-(furan-2-yl)-N-(4-methoxyphenyl)-1,3-thiazol-2-imine
SMILESCOc1ccc(/N=c2\scc(-c3ccco3)n2C2CCCC2)cc1
InChIInChI=1S/C19H20N2O2S/c1-22-16-10-8-14(9-11-16)20-19-21(15-5-2-3-6-15)17(13-24-19)18-7-4-12-23-18/h4,7-13,15H,2-3,5-6H2,1H3/b20-19-
InChIKeySHVIVQRKRIBIET-VXPUYCOJSA-N
XLogP5.17
TPSA39.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.45
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-cyclopropyl-4-(furan-2-yl)-N-(4-methoxyphenyl)-1,3-thiazol-2-imine
CID 23988975
3-cyclopentyl-4-(furan-2-yl)-N-(2-methoxyphenyl)-1,3-thiazol-2-imine
CID 23740254
3-cyclohexyl-N-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine
CID 18812844
4-(furan-2-yl)-N-(4-methoxyphenyl)-3-(3-methylbutylideneamino)-1,3-thiazol-2-imine
CID 23794866
3-cyclopentyl-N-(4-ethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine
CID 23883477
6-[3-cyclopentyl-2-(3-methoxyphenyl)imino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 23940913
3-cycloheptyl-4-(2,5-dimethoxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine
CID 23827955
3-cyclopropyl-N,4-bis(4-methylphenyl)-1,3-thiazol-2-imine
CID 23765123
3-cyclohexyl-4-methyl-N-(4-methylphenyl)-1,3-thiazol-2-imine
CID 23937531
N,3-bis(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-imine
CID 3743621
N-(3,5-dimethylphenyl)-4-(furan-2-yl)-3-(2-methoxyethyl)-1,3-thiazol-2-imine
CID 23799456
N-[(E)-[3-cyclohexyl-4-(4-methoxyphenyl)-1,3-thiazol-2-ylidene]amino]-3-phenylquinoxalin-2-amine
CID 10649294

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-4-(furan-2-yl)-N-(4-methoxyphenyl)-1,3-thiazol-2-imine?
The IUPAC name of 3-cyclopentyl-4-(furan-2-yl)-N-(4-methoxyphenyl)-1,3-thiazol-2-imine (CID 23906653) is 3-cyclopentyl-4-(furan-2-yl)-N-(4-methoxyphenyl)-1,3-thiazol-2-imine.
What is the SMILES notation for 3-cyclopentyl-4-(furan-2-yl)-N-(4-methoxyphenyl)-1,3-thiazol-2-imine?
The canonical SMILES for 3-cyclopentyl-4-(furan-2-yl)-N-(4-methoxyphenyl)-1,3-thiazol-2-imine is COc1ccc(/N=c2\scc(-c3ccco3)n2C2CCCC2)cc1.
What is the InChIKey of 3-cyclopentyl-4-(furan-2-yl)-N-(4-methoxyphenyl)-1,3-thiazol-2-imine?
The InChIKey is SHVIVQRKRIBIET-VXPUYCOJSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-22-16-10-8-14(9-11-16)20-19-21(15-5-2-3-6-15)17(13-24-19)18-7-4-12-23-18/h4,7-13,15H,2-3,5-6H2,1H3/b20-19-.
What are the key properties of 3-cyclopentyl-4-(furan-2-yl)-N-(4-methoxyphenyl)-1,3-thiazol-2-imine?
3-cyclopentyl-4-(furan-2-yl)-N-(4-methoxyphenyl)-1,3-thiazol-2-imine has a molecular weight of 340.45 g/mol, XLogP of 5.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-4-(furan-2-yl)-N-(4-methoxyphenyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 23906653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).