formaldehyde;3-[[2-(4-hydroxyphenyl)-1,3-thiazol-5-yl]methyl]-11-methyl-5,11-dihydrobenzo[c][1]benzazepin-6-one;methanamine

C27H27N3O3S — CID 145277390

IUPACformaldehyde;3-[[2-(4-hydroxyphenyl)-1,3-thiazol-5-yl]methyl]-11-methyl-5,11-dihydrobenzo[c][1]benzazepin-6-one;methanamine
SMILESC=O.CC1c2ccc(Cc3cnc(-c4ccc(O)cc4)s3)cc2NC(=O)c2ccccc21.CN
InChIInChI=1S/C25H20N2O2S.CH5N.CH2O/c1-15-20-4-2-3-5-22(20)24(29)27-23-13-16(6-11-21(15)23)12-19-14-26-25(30-19)17-7-9-18(28)10-8-17;2*1-2/h2-11,13-15,28H,12H2,1H3,(H,27,29);2H2,1H3;1H2
InChIKeyJWUOMTXEISLEIM-UHFFFAOYSA-N
MW473.60 g/mol
LogP5.21
Rot. Bonds3

About formaldehyde;3-[[2-(4-hydroxyphenyl)-1,3-thiazol-5-yl]methyl]-11-methyl-5,11-dihydrobenzo[c][1]benzazepin-6-one;methanamine

formaldehyde;3-[[2-(4-hydroxyphenyl)-1,3-thiazol-5-yl]methyl]-11-methyl-5,11-dihydrobenzo[c][1]benzazepin-6-one;methanamine (PubChem CID 145277390) has the molecular formula C27H27N3O3S and a molecular weight of 473.60 g/mol. Its IUPAC name is formaldehyde;3-[[2-(4-hydroxyphenyl)-1,3-thiazol-5-yl]methyl]-11-methyl-5,11-dihydrobenzo[c][1]benzazepin-6-one;methanamine.

Molecular Properties

Compound Nameformaldehyde;3-[[2-(4-hydroxyphenyl)-1,3-thiazol-5-yl]methyl]-11-methyl-5,11-dihydrobenzo[c][1]benzazepin-6-one;methanamine
PubChem CID145277390
Molecular FormulaC27H27N3O3S
Molecular Weight473.60 g/mol
Exact Mass473.18
IUPAC Nameformaldehyde;3-[[2-(4-hydroxyphenyl)-1,3-thiazol-5-yl]methyl]-11-methyl-5,11-dihydrobenzo[c][1]benzazepin-6-one;methanamine
SMILESC=O.CC1c2ccc(Cc3cnc(-c4ccc(O)cc4)s3)cc2NC(=O)c2ccccc21.CN
InChIInChI=1S/C25H20N2O2S.CH5N.CH2O/c1-15-20-4-2-3-5-22(20)24(29)27-23-13-16(6-11-21(15)23)12-19-14-26-25(30-19)17-7-9-18(28)10-8-17;2*1-2/h2-11,13-15,28H,12H2,1H3,(H,27,29);2H2,1H3;1H2
InChIKeyJWUOMTXEISLEIM-UHFFFAOYSA-N
XLogP5.21
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.60
LogP ≤ 55.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of formaldehyde;3-[[2-(4-hydroxyphenyl)-1,3-thiazol-5-yl]methyl]-11-methyl-5,11-dihydrobenzo[c][1]benzazepin-6-one;methanamine?
The IUPAC name of formaldehyde;3-[[2-(4-hydroxyphenyl)-1,3-thiazol-5-yl]methyl]-11-methyl-5,11-dihydrobenzo[c][1]benzazepin-6-one;methanamine (CID 145277390) is formaldehyde;3-[[2-(4-hydroxyphenyl)-1,3-thiazol-5-yl]methyl]-11-methyl-5,11-dihydrobenzo[c][1]benzazepin-6-one;methanamine.
What is the SMILES notation for formaldehyde;3-[[2-(4-hydroxyphenyl)-1,3-thiazol-5-yl]methyl]-11-methyl-5,11-dihydrobenzo[c][1]benzazepin-6-one;methanamine?
The canonical SMILES for formaldehyde;3-[[2-(4-hydroxyphenyl)-1,3-thiazol-5-yl]methyl]-11-methyl-5,11-dihydrobenzo[c][1]benzazepin-6-one;methanamine is C=O.CC1c2ccc(Cc3cnc(-c4ccc(O)cc4)s3)cc2NC(=O)c2ccccc21.CN.
What is the InChIKey of formaldehyde;3-[[2-(4-hydroxyphenyl)-1,3-thiazol-5-yl]methyl]-11-methyl-5,11-dihydrobenzo[c][1]benzazepin-6-one;methanamine?
The InChIKey is JWUOMTXEISLEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O2S.CH5N.CH2O/c1-15-20-4-2-3-5-22(20)24(29)27-23-13-16(6-11-21(15)23)12-19-14-26-25(30-19)17-7-9-18(28)10-8-17;2*1-2/h2-11,13-15,28H,12H2,1H3,(H,27,29);2H2,1H3;1H2.
What are the key properties of formaldehyde;3-[[2-(4-hydroxyphenyl)-1,3-thiazol-5-yl]methyl]-11-methyl-5,11-dihydrobenzo[c][1]benzazepin-6-one;methanamine?
formaldehyde;3-[[2-(4-hydroxyphenyl)-1,3-thiazol-5-yl]methyl]-11-methyl-5,11-dihydrobenzo[c][1]benzazepin-6-one;methanamine has a molecular weight of 473.60 g/mol, XLogP of 5.21, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;3-[[2-(4-hydroxyphenyl)-1,3-thiazol-5-yl]methyl]-11-methyl-5,11-dihydrobenzo[c][1]benzazepin-6-one;methanamine is sourced from PubChem (CID 145277390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).