2-[4-(4-chlorophenyl)-2-[(4-methoxyphenyl)-pyridin-2-ylmethyl]-1,3-thiazol-5-yl]acetaldehyde

C24H19ClN2O2S — CID 143142849

IUPAC2-[4-(4-chlorophenyl)-2-[(4-methoxyphenyl)-pyridin-2-ylmethyl]-1,3-thiazol-5-yl]acetaldehyde
SMILESCOc1ccc(C(c2ccccn2)c2nc(-c3ccc(Cl)cc3)c(CC=O)s2)cc1
InChIInChI=1S/C24H19ClN2O2S/c1-29-19-11-7-16(8-12-19)22(20-4-2-3-14-26-20)24-27-23(21(30-24)13-15-28)17-5-9-18(25)10-6-17/h2-12,14-15,22H,13H2,1H3
InChIKeyAFZRNCMVVRGAMJ-UHFFFAOYSA-N
MW434.95 g/mol
LogP5.79
Rot. Bonds7

About 2-[4-(4-chlorophenyl)-2-[(4-methoxyphenyl)-pyridin-2-ylmethyl]-1,3-thiazol-5-yl]acetaldehyde

2-[4-(4-chlorophenyl)-2-[(4-methoxyphenyl)-pyridin-2-ylmethyl]-1,3-thiazol-5-yl]acetaldehyde (PubChem CID 143142849) has the molecular formula C24H19ClN2O2S and a molecular weight of 434.95 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-2-[(4-methoxyphenyl)-pyridin-2-ylmethyl]-1,3-thiazol-5-yl]acetaldehyde.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-2-[(4-methoxyphenyl)-pyridin-2-ylmethyl]-1,3-thiazol-5-yl]acetaldehyde
PubChem CID143142849
Molecular FormulaC24H19ClN2O2S
Molecular Weight434.95 g/mol
Exact Mass434.09
IUPAC Name2-[4-(4-chlorophenyl)-2-[(4-methoxyphenyl)-pyridin-2-ylmethyl]-1,3-thiazol-5-yl]acetaldehyde
SMILESCOc1ccc(C(c2ccccn2)c2nc(-c3ccc(Cl)cc3)c(CC=O)s2)cc1
InChIInChI=1S/C24H19ClN2O2S/c1-29-19-11-7-16(8-12-19)22(20-4-2-3-14-26-20)24-27-23(21(30-24)13-15-28)17-5-9-18(25)10-6-17/h2-12,14-15,22H,13H2,1H3
InChIKeyAFZRNCMVVRGAMJ-UHFFFAOYSA-N
XLogP5.79
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.95
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(4-chlorophenyl)-2-[(4-methoxyphenyl)-phenylmethyl]-1,3-thiazol-5-yl]acetic acid
CID 11561470
4-[(4-chlorophenyl)-pyridin-2-ylmethyl]phenol
CID 71113745
5-(4-chlorophenyl)-4-(4-methoxyphenyl)-2-phenyl-1,3-oxazole
CID 139183533
cumene;1-methoxy-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;2-propan-2-ylpyridine
CID 159792908
1-(4-methoxyphenyl)-1-pyridin-2-ylpropan-2-one
CID 174924212
2,3-bis(4-methoxyphenyl)pyrazino[2,3-f][1,10]phenanthroline
CID 21304154
methyl N-[2-(4-methoxyphenyl)-2-pyridin-2-ylethyl]carbamate
CID 16928325
1-chloro-4-(4-methoxyphenyl)benzene
CID 612791
2-ethyl-6-propan-2-ylpyridine;1-methoxy-4-propan-2-ylbenzene;2-propan-2-ylpyridine
CID 167579061
1-[bis(4-methoxyphenyl)methyl]-4-phenylbenzene
CID 134976312
5-(chloromethyl)-2-(4-methoxyphenyl)-4-phenyl-1,3-thiazole
CID 28709905
4,5-bis(4-methoxyphenyl)-2-pyridin-2-yl-1,3-thiazole
CID 15076241

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)-2-[(4-methoxyphenyl)-pyridin-2-ylmethyl]-1,3-thiazol-5-yl]acetaldehyde?
The IUPAC name of 2-[4-(4-chlorophenyl)-2-[(4-methoxyphenyl)-pyridin-2-ylmethyl]-1,3-thiazol-5-yl]acetaldehyde (CID 143142849) is 2-[4-(4-chlorophenyl)-2-[(4-methoxyphenyl)-pyridin-2-ylmethyl]-1,3-thiazol-5-yl]acetaldehyde.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-2-[(4-methoxyphenyl)-pyridin-2-ylmethyl]-1,3-thiazol-5-yl]acetaldehyde?
The canonical SMILES for 2-[4-(4-chlorophenyl)-2-[(4-methoxyphenyl)-pyridin-2-ylmethyl]-1,3-thiazol-5-yl]acetaldehyde is COc1ccc(C(c2ccccn2)c2nc(-c3ccc(Cl)cc3)c(CC=O)s2)cc1.
What is the InChIKey of 2-[4-(4-chlorophenyl)-2-[(4-methoxyphenyl)-pyridin-2-ylmethyl]-1,3-thiazol-5-yl]acetaldehyde?
The InChIKey is AFZRNCMVVRGAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2O2S/c1-29-19-11-7-16(8-12-19)22(20-4-2-3-14-26-20)24-27-23(21(30-24)13-15-28)17-5-9-18(25)10-6-17/h2-12,14-15,22H,13H2,1H3.
What are the key properties of 2-[4-(4-chlorophenyl)-2-[(4-methoxyphenyl)-pyridin-2-ylmethyl]-1,3-thiazol-5-yl]acetaldehyde?
2-[4-(4-chlorophenyl)-2-[(4-methoxyphenyl)-pyridin-2-ylmethyl]-1,3-thiazol-5-yl]acetaldehyde has a molecular weight of 434.95 g/mol, XLogP of 5.79, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)-2-[(4-methoxyphenyl)-pyridin-2-ylmethyl]-1,3-thiazol-5-yl]acetaldehyde is sourced from PubChem (CID 143142849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).