3-cyclohexyl-5-[(5,7-dimethyl-2-phenylindol-3-ylidene)methyl]-2-phenylimino-1,3-thiazol-4-ol

C32H31N3OS — CID 137120500

IUPAC3-cyclohexyl-5-[(5,7-dimethyl-2-phenylindol-3-ylidene)methyl]-2-phenylimino-1,3-thiazol-4-ol
SMILESCc1cc(C)c2c(c1)C(=Cc1s/c(=N\c3ccccc3)n(C3CCCCC3)c1O)C(c1ccccc1)=N2
InChIInChI=1S/C32H31N3OS/c1-21-18-22(2)29-26(19-21)27(30(34-29)23-12-6-3-7-13-23)20-28-31(36)35(25-16-10-5-11-17-25)32(37-28)33-24-14-8-4-9-15-24/h3-4,6-9,12-15,18-20,25,36H,5,10-11,16-17H2,1-2H3/b27-20?,33-32-
InChIKeyAZYQZNKTDYNKKQ-DUGXSIFMSA-N
MW505.69 g/mol
LogP8.28
Rot. Bonds4

About 3-cyclohexyl-5-[(5,7-dimethyl-2-phenylindol-3-ylidene)methyl]-2-phenylimino-1,3-thiazol-4-ol

3-cyclohexyl-5-[(5,7-dimethyl-2-phenylindol-3-ylidene)methyl]-2-phenylimino-1,3-thiazol-4-ol (PubChem CID 137120500) has the molecular formula C32H31N3OS and a molecular weight of 505.69 g/mol. Its IUPAC name is 3-cyclohexyl-5-[(5,7-dimethyl-2-phenylindol-3-ylidene)methyl]-2-phenylimino-1,3-thiazol-4-ol.

Molecular Properties

Compound Name3-cyclohexyl-5-[(5,7-dimethyl-2-phenylindol-3-ylidene)methyl]-2-phenylimino-1,3-thiazol-4-ol
PubChem CID137120500
Molecular FormulaC32H31N3OS
Molecular Weight505.69 g/mol
Exact Mass505.22
IUPAC Name3-cyclohexyl-5-[(5,7-dimethyl-2-phenylindol-3-ylidene)methyl]-2-phenylimino-1,3-thiazol-4-ol
SMILESCc1cc(C)c2c(c1)C(=Cc1s/c(=N\c3ccccc3)n(C3CCCCC3)c1O)C(c1ccccc1)=N2
InChIInChI=1S/C32H31N3OS/c1-21-18-22(2)29-26(19-21)27(30(34-29)23-12-6-3-7-13-23)20-28-31(36)35(25-16-10-5-11-17-25)32(37-28)33-24-14-8-4-9-15-24/h3-4,6-9,12-15,18-20,25,36H,5,10-11,16-17H2,1-2H3/b27-20?,33-32-
InChIKeyAZYQZNKTDYNKKQ-DUGXSIFMSA-N
XLogP8.28
TPSA49.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.69
LogP ≤ 58.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-5-[(5,7-dimethyl-2-phenylindol-3-ylidene)methyl]-2-phenylimino-1,3-thiazol-4-ol?
The IUPAC name of 3-cyclohexyl-5-[(5,7-dimethyl-2-phenylindol-3-ylidene)methyl]-2-phenylimino-1,3-thiazol-4-ol (CID 137120500) is 3-cyclohexyl-5-[(5,7-dimethyl-2-phenylindol-3-ylidene)methyl]-2-phenylimino-1,3-thiazol-4-ol.
What is the SMILES notation for 3-cyclohexyl-5-[(5,7-dimethyl-2-phenylindol-3-ylidene)methyl]-2-phenylimino-1,3-thiazol-4-ol?
The canonical SMILES for 3-cyclohexyl-5-[(5,7-dimethyl-2-phenylindol-3-ylidene)methyl]-2-phenylimino-1,3-thiazol-4-ol is Cc1cc(C)c2c(c1)C(=Cc1s/c(=N\c3ccccc3)n(C3CCCCC3)c1O)C(c1ccccc1)=N2.
What is the InChIKey of 3-cyclohexyl-5-[(5,7-dimethyl-2-phenylindol-3-ylidene)methyl]-2-phenylimino-1,3-thiazol-4-ol?
The InChIKey is AZYQZNKTDYNKKQ-DUGXSIFMSA-N. The full InChI is InChI=1S/C32H31N3OS/c1-21-18-22(2)29-26(19-21)27(30(34-29)23-12-6-3-7-13-23)20-28-31(36)35(25-16-10-5-11-17-25)32(37-28)33-24-14-8-4-9-15-24/h3-4,6-9,12-15,18-20,25,36H,5,10-11,16-17H2,1-2H3/b27-20?,33-32-.
What are the key properties of 3-cyclohexyl-5-[(5,7-dimethyl-2-phenylindol-3-ylidene)methyl]-2-phenylimino-1,3-thiazol-4-ol?
3-cyclohexyl-5-[(5,7-dimethyl-2-phenylindol-3-ylidene)methyl]-2-phenylimino-1,3-thiazol-4-ol has a molecular weight of 505.69 g/mol, XLogP of 8.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5-[(5,7-dimethyl-2-phenylindol-3-ylidene)methyl]-2-phenylimino-1,3-thiazol-4-ol is sourced from PubChem (CID 137120500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).