4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]thiomorpholine

C15H18N2O2S2 — CID 1282304

IUPAC4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]thiomorpholine
SMILESCOc1ccc(-c2csc(N3CCSCC3)n2)cc1OC
InChIInChI=1S/C15H18N2O2S2/c1-18-13-4-3-11(9-14(13)19-2)12-10-21-15(16-12)17-5-7-20-8-6-17/h3-4,9-10H,5-8H2,1-2H3
InChIKeyOPOWEBKVXPFZRC-UHFFFAOYSA-N
MW322.46 g/mol
LogP3.38
Rot. Bonds4

About 4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]thiomorpholine

4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]thiomorpholine (PubChem CID 1282304) has the molecular formula C15H18N2O2S2 and a molecular weight of 322.46 g/mol. Its IUPAC name is 4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]thiomorpholine.

Molecular Properties

Compound Name4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]thiomorpholine
PubChem CID1282304
Molecular FormulaC15H18N2O2S2
Molecular Weight322.46 g/mol
Exact Mass322.08
IUPAC Name4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]thiomorpholine
SMILESCOc1ccc(-c2csc(N3CCSCC3)n2)cc1OC
InChIInChI=1S/C15H18N2O2S2/c1-18-13-4-3-11(9-14(13)19-2)12-10-21-15(16-12)17-5-7-20-8-6-17/h3-4,9-10H,5-8H2,1-2H3
InChIKeyOPOWEBKVXPFZRC-UHFFFAOYSA-N
XLogP3.38
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-Benzo(1,3)dioxol-5-yl-thiazol-2-ylamine
CID 727580
4-(3,4-dimethoxyphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 556017
4-(3,4-Dimethoxyphenyl)-1,3-thiazol-2-amine
CID 332397
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyridin-2-amine
CID 1092442
4-[4-(3,4-Dimethoxyphenyl)-1,3-thiazol-2-yl]morpholine
CID 653894
2-({[2-(4-Ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl}sulfanyl)pyrimidine-4,6-diamine
CID 38570018
4-(2,3-Dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine
CID 616435
4-[4-(4-Methoxyphenyl)-1,3-thiazol-2-yl]thiomorpholine
CID 1490762
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide
CID 2090691
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-2-methylsulfanylacetamide
CID 2444242
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylthiazole
CID 2742348
N-cyclohexyl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
CID 4791502

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]thiomorpholine?
The IUPAC name of 4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]thiomorpholine (CID 1282304) is 4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]thiomorpholine.
What is the SMILES notation for 4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]thiomorpholine?
The canonical SMILES for 4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]thiomorpholine is COc1ccc(-c2csc(N3CCSCC3)n2)cc1OC.
What is the InChIKey of 4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]thiomorpholine?
The InChIKey is OPOWEBKVXPFZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S2/c1-18-13-4-3-11(9-14(13)19-2)12-10-21-15(16-12)17-5-7-20-8-6-17/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of 4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]thiomorpholine?
4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]thiomorpholine has a molecular weight of 322.46 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]thiomorpholine is sourced from PubChem (CID 1282304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).