2-[2-(cyclohexylmethyl)-4-pyridinyl]-4-(4-methylphenyl)-1,3-thiazole;formaldehyde

C23H26N2OS — CID 144801100

IUPAC2-[2-(cyclohexylmethyl)-4-pyridinyl]-4-(4-methylphenyl)-1,3-thiazole;formaldehyde
SMILESC=O.Cc1ccc(-c2csc(-c3ccnc(CC4CCCCC4)c3)n2)cc1
InChIInChI=1S/C22H24N2S.CH2O/c1-16-7-9-18(10-8-16)21-15-25-22(24-21)19-11-12-23-20(14-19)13-17-5-3-2-4-6-17;1-2/h7-12,14-15,17H,2-6,13H2,1H3;1H2
InChIKeyBEULCTMOWMOYFX-UHFFFAOYSA-N
MW378.54 g/mol
LogP6.12
Rot. Bonds4

About 2-[2-(cyclohexylmethyl)-4-pyridinyl]-4-(4-methylphenyl)-1,3-thiazole;formaldehyde

2-[2-(cyclohexylmethyl)-4-pyridinyl]-4-(4-methylphenyl)-1,3-thiazole;formaldehyde (PubChem CID 144801100) has the molecular formula C23H26N2OS and a molecular weight of 378.54 g/mol. Its IUPAC name is 2-[2-(cyclohexylmethyl)-4-pyridinyl]-4-(4-methylphenyl)-1,3-thiazole;formaldehyde.

Molecular Properties

Compound Name2-[2-(cyclohexylmethyl)-4-pyridinyl]-4-(4-methylphenyl)-1,3-thiazole;formaldehyde
PubChem CID144801100
Molecular FormulaC23H26N2OS
Molecular Weight378.54 g/mol
Exact Mass378.18
IUPAC Name2-[2-(cyclohexylmethyl)-4-pyridinyl]-4-(4-methylphenyl)-1,3-thiazole;formaldehyde
SMILESC=O.Cc1ccc(-c2csc(-c3ccnc(CC4CCCCC4)c3)n2)cc1
InChIInChI=1S/C22H24N2S.CH2O/c1-16-7-9-18(10-8-16)21-15-25-22(24-21)19-11-12-23-20(14-19)13-17-5-3-2-4-6-17;1-2/h7-12,14-15,17H,2-6,13H2,1H3;1H2
InChIKeyBEULCTMOWMOYFX-UHFFFAOYSA-N
XLogP6.12
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.54
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(methoxymethyl)-4-pyridinyl]-4-(4-methylphenyl)-1,3-thiazole
CID 145149584
4-[4-(2-phenylethyl)phenyl]-2-(2-propyl-4-pyridinyl)-1,3-thiazole
CID 159855197
2-(3-cyclohexyloxy-4-methylphenyl)-4-pyridin-4-yl-1,3-thiazole
CID 142900158
N-tert-butyl-2-[2-(cyclohexylmethyl)-4-pyridinyl]-6-pyridin-4-ylpyridine-4-carboxamide
CID 58229656
[3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 20983736
4-tert-butyl-2-(cyclohexylmethyl)pyridine;4-tert-butyl-2-(cyclopentylmethyl)pyridine
CID 159957482
2-(2,6-dichloro-4-pyridinyl)-4-(4-methylphenyl)-1,3-thiazole
CID 2798615
2-(4-cyclopentyl-3-pyridinyl)-4-(4-methylphenyl)-1,3-thiazole
CID 91570843
4-[5-(cyclopentylmethyl)-4-methyl-3-prop-1-en-2-ylcyclopenta-1,3-dien-1-yl]-2-(4-methylphenyl)-1,3-thiazole
CID 142919796
2-(3-cyclohexyloxy-4-methoxyphenyl)-4-pyridin-4-yl-1,3-thiazole
CID 142221430
4-(cyclopentylmethyl)-2-pyridin-3-yl-1,3-thiazole
CID 67547913
2-(4-ethyl-3-pyridinyl)-4-(4-methylphenyl)-1,3-thiazole
CID 86217272

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexylmethyl)-4-pyridinyl]-4-(4-methylphenyl)-1,3-thiazole;formaldehyde?
The IUPAC name of 2-[2-(cyclohexylmethyl)-4-pyridinyl]-4-(4-methylphenyl)-1,3-thiazole;formaldehyde (CID 144801100) is 2-[2-(cyclohexylmethyl)-4-pyridinyl]-4-(4-methylphenyl)-1,3-thiazole;formaldehyde.
What is the SMILES notation for 2-[2-(cyclohexylmethyl)-4-pyridinyl]-4-(4-methylphenyl)-1,3-thiazole;formaldehyde?
The canonical SMILES for 2-[2-(cyclohexylmethyl)-4-pyridinyl]-4-(4-methylphenyl)-1,3-thiazole;formaldehyde is C=O.Cc1ccc(-c2csc(-c3ccnc(CC4CCCCC4)c3)n2)cc1.
What is the InChIKey of 2-[2-(cyclohexylmethyl)-4-pyridinyl]-4-(4-methylphenyl)-1,3-thiazole;formaldehyde?
The InChIKey is BEULCTMOWMOYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2S.CH2O/c1-16-7-9-18(10-8-16)21-15-25-22(24-21)19-11-12-23-20(14-19)13-17-5-3-2-4-6-17;1-2/h7-12,14-15,17H,2-6,13H2,1H3;1H2.
What are the key properties of 2-[2-(cyclohexylmethyl)-4-pyridinyl]-4-(4-methylphenyl)-1,3-thiazole;formaldehyde?
2-[2-(cyclohexylmethyl)-4-pyridinyl]-4-(4-methylphenyl)-1,3-thiazole;formaldehyde has a molecular weight of 378.54 g/mol, XLogP of 6.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohexylmethyl)-4-pyridinyl]-4-(4-methylphenyl)-1,3-thiazole;formaldehyde is sourced from PubChem (CID 144801100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).