3-(2,3-dihydroinden-1-ylideneamino)-N-propan-2-yl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine

C24H27N3O3S — CID 23828020

IUPAC3-(2,3-dihydroinden-1-ylideneamino)-N-propan-2-yl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine
SMILESCOc1cc(-c2cs/c(=N\C(C)C)n2N=C2CCc3ccccc32)cc(OC)c1OC
InChIInChI=1S/C24H27N3O3S/c1-15(2)25-24-27(26-19-11-10-16-8-6-7-9-18(16)19)20(14-31-24)17-12-21(28-3)23(30-5)22(13-17)29-4/h6-9,12-15H,10-11H2,1-5H3/b25-24-,26-19?
InChIKeyAVMXECVEJQXQFC-RHIXKDPBSA-N
MW437.57 g/mol
LogP4.75
Rot. Bonds6

About 3-(2,3-dihydroinden-1-ylideneamino)-N-propan-2-yl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine

3-(2,3-dihydroinden-1-ylideneamino)-N-propan-2-yl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine (PubChem CID 23828020) has the molecular formula C24H27N3O3S and a molecular weight of 437.57 g/mol. Its IUPAC name is 3-(2,3-dihydroinden-1-ylideneamino)-N-propan-2-yl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-(2,3-dihydroinden-1-ylideneamino)-N-propan-2-yl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine
PubChem CID23828020
Molecular FormulaC24H27N3O3S
Molecular Weight437.57 g/mol
Exact Mass437.18
IUPAC Name3-(2,3-dihydroinden-1-ylideneamino)-N-propan-2-yl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine
SMILESCOc1cc(-c2cs/c(=N\C(C)C)n2N=C2CCc3ccccc32)cc(OC)c1OC
InChIInChI=1S/C24H27N3O3S/c1-15(2)25-24-27(26-19-11-10-16-8-6-7-9-18(16)19)20(14-31-24)17-12-21(28-3)23(30-5)22(13-17)29-4/h6-9,12-15H,10-11H2,1-5H3/b25-24-,26-19?
InChIKeyAVMXECVEJQXQFC-RHIXKDPBSA-N
XLogP4.75
TPSA57.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-N-methyl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine
CID 23796469
3-(2,3-dihydroinden-1-ylideneamino)-N-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23884932
3-(2,3-dihydroinden-1-ylideneamino)-4-(3-nitrophenyl)-N-propan-2-yl-1,3-thiazol-2-imine
CID 23877338
3-(2,3-dihydroinden-1-ylideneamino)-N-ethyl-4-(2-methoxyphenyl)-1,3-thiazol-2-imine
CID 23827708
3-[(2-iodophenyl)methylideneamino]-N-propan-2-yl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine
CID 23878396
1-methyl-3-[[2-methylimino-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-3-yl]imino]indol-2-one
CID 23876639
6-[3-[(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-2-propan-2-ylimino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 23877179
N-methyl-3-[(5-methylthiophen-2-yl)methylideneamino]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine
CID 23732679
6-[3-[(2-ethoxyphenyl)methylideneamino]-2-propan-2-ylimino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 23880747
6-[2-propan-2-ylimino-3-(thiophen-2-ylmethylideneamino)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 23761990
2-[[2-cyclohexylimino-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135840434
6-[3-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(2-methylprop-2-enylimino)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 23877252

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroinden-1-ylideneamino)-N-propan-2-yl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine?
The IUPAC name of 3-(2,3-dihydroinden-1-ylideneamino)-N-propan-2-yl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine (CID 23828020) is 3-(2,3-dihydroinden-1-ylideneamino)-N-propan-2-yl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine.
What is the SMILES notation for 3-(2,3-dihydroinden-1-ylideneamino)-N-propan-2-yl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine?
The canonical SMILES for 3-(2,3-dihydroinden-1-ylideneamino)-N-propan-2-yl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine is COc1cc(-c2cs/c(=N\C(C)C)n2N=C2CCc3ccccc32)cc(OC)c1OC.
What is the InChIKey of 3-(2,3-dihydroinden-1-ylideneamino)-N-propan-2-yl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine?
The InChIKey is AVMXECVEJQXQFC-RHIXKDPBSA-N. The full InChI is InChI=1S/C24H27N3O3S/c1-15(2)25-24-27(26-19-11-10-16-8-6-7-9-18(16)19)20(14-31-24)17-12-21(28-3)23(30-5)22(13-17)29-4/h6-9,12-15H,10-11H2,1-5H3/b25-24-,26-19?.
What are the key properties of 3-(2,3-dihydroinden-1-ylideneamino)-N-propan-2-yl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine?
3-(2,3-dihydroinden-1-ylideneamino)-N-propan-2-yl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine has a molecular weight of 437.57 g/mol, XLogP of 4.75, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroinden-1-ylideneamino)-N-propan-2-yl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 23828020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).