4-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]thiomorpholine

C15H18N2S2 — CID 86880810

IUPAC4-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]thiomorpholine
SMILESCc1ccc(-c2nc(N3CCSCC3)sc2C)cc1
InChIInChI=1S/C15H18N2S2/c1-11-3-5-13(6-4-11)14-12(2)19-15(16-14)17-7-9-18-10-8-17/h3-6H,7-10H2,1-2H3
InChIKeyZPAZPKCMMCIISW-UHFFFAOYSA-N
MW290.46 g/mol
LogP3.98
Rot. Bonds2

About 4-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]thiomorpholine

4-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]thiomorpholine (PubChem CID 86880810) has the molecular formula C15H18N2S2 and a molecular weight of 290.46 g/mol. Its IUPAC name is 4-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]thiomorpholine.

Molecular Properties

Compound Name4-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]thiomorpholine
PubChem CID86880810
Molecular FormulaC15H18N2S2
Molecular Weight290.46 g/mol
Exact Mass290.09
IUPAC Name4-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]thiomorpholine
SMILESCc1ccc(-c2nc(N3CCSCC3)sc2C)cc1
InChIInChI=1S/C15H18N2S2/c1-11-3-5-13(6-4-11)14-12(2)19-15(16-14)17-7-9-18-10-8-17/h3-6H,7-10H2,1-2H3
InChIKeyZPAZPKCMMCIISW-UHFFFAOYSA-N
XLogP3.98
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.46
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-4-phenyl-2-piperidin-1-yl-1,3-thiazole
CID 129303200
4-(4-methoxyphenyl)-5-methyl-2-(4-methylpiperidin-1-yl)-1,3-thiazole
CID 60528657
5-methyl-2-piperazin-1-yl-4-(4-propylphenyl)-1,3-thiazole
CID 82162161
2,2-dimethyl-N-[4-(5-methyl-2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]propanamide
CID 8750603
2,2-dimethyl-N-[4-[5-methyl-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazol-4-yl]phenyl]propanamide
CID 9356426
2-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 56737882
4,6-dimethyl-2-thiomorpholin-4-yl-1,3-benzothiazole
CID 171335889
5-methyl-4-(4-methylphenyl)-1,3-thiazole-2-carboxylic acid
CID 79023710
2-[4-chloro-3,5-bis(4-methylphenyl)pyrazol-1-yl]-5-methyl-4-phenyl-1,3-thiazole
CID 19587292
4-(2-bromophenyl)-5-methyl-2-piperidin-1-yl-1,3-thiazole
CID 79838993
2-(azepan-1-yl)-4-(2-bromophenyl)-5-methyl-1,3-thiazole
CID 79839553
N'-hydroxy-4-[5-[4-(5-methyl-2-piperidin-1-yl-1,3-thiazol-4-yl)phenoxy]pentoxy]benzenecarboximidamide
CID 87149096

Frequently Asked Questions

What is the IUPAC name of 4-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]thiomorpholine?
The IUPAC name of 4-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]thiomorpholine (CID 86880810) is 4-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]thiomorpholine.
What is the SMILES notation for 4-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]thiomorpholine?
The canonical SMILES for 4-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]thiomorpholine is Cc1ccc(-c2nc(N3CCSCC3)sc2C)cc1.
What is the InChIKey of 4-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]thiomorpholine?
The InChIKey is ZPAZPKCMMCIISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S2/c1-11-3-5-13(6-4-11)14-12(2)19-15(16-14)17-7-9-18-10-8-17/h3-6H,7-10H2,1-2H3.
What are the key properties of 4-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]thiomorpholine?
4-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]thiomorpholine has a molecular weight of 290.46 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]thiomorpholine is sourced from PubChem (CID 86880810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).