3-(cyclopentylideneamino)-N-(2-methoxyphenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine

C19H19N3OS2 — CID 3519073

IUPAC3-(cyclopentylideneamino)-N-(2-methoxyphenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine
SMILESCOc1ccccc1/N=c1\scc(-c2cccs2)n1N=C1CCCC1
InChIInChI=1S/C19H19N3OS2/c1-23-17-10-5-4-9-15(17)20-19-22(21-14-7-2-3-8-14)16(13-25-19)18-11-6-12-24-18/h4-6,9-13H,2-3,7-8H2,1H3/b20-19-
InChIKeyKLTHGIBBEAWWFB-VXPUYCOJSA-N
MW369.52 g/mol
LogP5.30
Rot. Bonds4

About 3-(cyclopentylideneamino)-N-(2-methoxyphenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine

3-(cyclopentylideneamino)-N-(2-methoxyphenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine (PubChem CID 3519073) has the molecular formula C19H19N3OS2 and a molecular weight of 369.52 g/mol. Its IUPAC name is 3-(cyclopentylideneamino)-N-(2-methoxyphenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-(cyclopentylideneamino)-N-(2-methoxyphenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine
PubChem CID3519073
Molecular FormulaC19H19N3OS2
Molecular Weight369.52 g/mol
Exact Mass369.10
IUPAC Name3-(cyclopentylideneamino)-N-(2-methoxyphenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine
SMILESCOc1ccccc1/N=c1\scc(-c2cccs2)n1N=C1CCCC1
InChIInChI=1S/C19H19N3OS2/c1-23-17-10-5-4-9-15(17)20-19-22(21-14-7-2-3-8-14)16(13-25-19)18-11-6-12-24-18/h4-6,9-13H,2-3,7-8H2,1H3/b20-19-
InChIKeyKLTHGIBBEAWWFB-VXPUYCOJSA-N
XLogP5.30
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.52
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-methylcyclohexylidene)amino]-N-prop-2-enyl-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23876238
3-cyclopentyl-4-(furan-2-yl)-N-(2-methoxyphenyl)-1,3-thiazol-2-imine
CID 23740254
3-(cyclooctylideneamino)-N-ethyl-4-phenyl-1,3-thiazol-2-imine
CID 23885359
3-(cyclohexylideneamino)-N-ethyl-4-phenyl-1,3-thiazol-2-imine
CID 7974852
N-(2,3-dimethylphenyl)-3-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23736772
6-[3-(cyclopentylideneamino)-2-(2-methylphenyl)imino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 23966223
3-(cyclooctylideneamino)-4-(2,5-dichlorophenyl)-N-(2-nitrophenyl)-1,3-thiazol-2-imine
CID 23989799
3-(2,3-dihydroinden-1-ylideneamino)-N-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23884932
3-[[4-(2,5-dimethoxyphenyl)-2-(2-methoxyphenyl)imino-1,3-thiazol-3-yl]imino]-1-methylindol-2-one
CID 23799985
N-(2-methoxyphenyl)-3-(oxolan-2-ylmethyl)-4-phenyl-1,3-thiazol-2-imine
CID 23796102
N-cyclohexyl-3-(cyclopentylideneamino)-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-imine
CID 23936843
N-(2-methoxyphenyl)-4-methyl-3-[(5-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine
CID 23734742

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylideneamino)-N-(2-methoxyphenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine?
The IUPAC name of 3-(cyclopentylideneamino)-N-(2-methoxyphenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine (CID 3519073) is 3-(cyclopentylideneamino)-N-(2-methoxyphenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine.
What is the SMILES notation for 3-(cyclopentylideneamino)-N-(2-methoxyphenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine?
The canonical SMILES for 3-(cyclopentylideneamino)-N-(2-methoxyphenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine is COc1ccccc1/N=c1\scc(-c2cccs2)n1N=C1CCCC1.
What is the InChIKey of 3-(cyclopentylideneamino)-N-(2-methoxyphenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine?
The InChIKey is KLTHGIBBEAWWFB-VXPUYCOJSA-N. The full InChI is InChI=1S/C19H19N3OS2/c1-23-17-10-5-4-9-15(17)20-19-22(21-14-7-2-3-8-14)16(13-25-19)18-11-6-12-24-18/h4-6,9-13H,2-3,7-8H2,1H3/b20-19-.
What are the key properties of 3-(cyclopentylideneamino)-N-(2-methoxyphenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine?
3-(cyclopentylideneamino)-N-(2-methoxyphenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine has a molecular weight of 369.52 g/mol, XLogP of 5.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylideneamino)-N-(2-methoxyphenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine is sourced from PubChem (CID 3519073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).