4-[4-(2-methoxycyclohexa-1,3-dien-1-yl)-1,3-thiazol-2-yl]morpholine

C14H18N2O2S — CID 123283981

IUPAC4-[4-(2-methoxycyclohexa-1,3-dien-1-yl)-1,3-thiazol-2-yl]morpholine
SMILESCOC1=C(c2csc(N3CCOCC3)n2)CCC=C1
InChIInChI=1S/C14H18N2O2S/c1-17-13-5-3-2-4-11(13)12-10-19-14(15-12)16-6-8-18-9-7-16/h3,5,10H,2,4,6-9H2,1H3
InChIKeyBRDIRDLJYBZGHG-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.69
Rot. Bonds3

About 4-[4-(2-methoxycyclohexa-1,3-dien-1-yl)-1,3-thiazol-2-yl]morpholine

4-[4-(2-methoxycyclohexa-1,3-dien-1-yl)-1,3-thiazol-2-yl]morpholine (PubChem CID 123283981) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 4-[4-(2-methoxycyclohexa-1,3-dien-1-yl)-1,3-thiazol-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(2-methoxycyclohexa-1,3-dien-1-yl)-1,3-thiazol-2-yl]morpholine
PubChem CID123283981
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name4-[4-(2-methoxycyclohexa-1,3-dien-1-yl)-1,3-thiazol-2-yl]morpholine
SMILESCOC1=C(c2csc(N3CCOCC3)n2)CCC=C1
InChIInChI=1S/C14H18N2O2S/c1-17-13-5-3-2-4-11(13)12-10-19-14(15-12)16-6-8-18-9-7-16/h3,5,10H,2,4,6-9H2,1H3
InChIKeyBRDIRDLJYBZGHG-UHFFFAOYSA-N
XLogP2.69
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(5-methyl-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]morpholine
CID 167843609
4-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]morpholine;hydrochloride
CID 72720133
4-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]morpholine
CID 174341504
4-[4-(3-methyl-1-benzofuran-2-yl)-1,3-thiazol-2-yl]morpholine
CID 32951384
N-ethyl-5-(2-morpholin-4-yl-1,3-thiazol-4-yl)-1,3,4-thiadiazol-2-amine
CID 82514870
2,3-dimethyl-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)aniline
CID 167513347
4-[4-(5-bromo-2-pyridinyl)-1,3-thiazol-2-yl]morpholine
CID 122154769
(4-hydroxypiperidin-1-yl)-[4-methoxy-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]methanone
CID 91958350
4-[4-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-1,3-thiazol-2-yl]morpholine
CID 17443525
4-[4-(4-fluoro-6-methoxycyclohexa-2,4-dien-1-yl)-1,3-thiazol-2-yl]morpholine
CID 144901222
4-[4-(3-fluoro-4-pyridinyl)-1,3-thiazol-2-yl]morpholine
CID 122154747
(2-morpholin-4-yl-1,3-thiazol-4-yl)boronic acid
CID 66632378

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methoxycyclohexa-1,3-dien-1-yl)-1,3-thiazol-2-yl]morpholine?
The IUPAC name of 4-[4-(2-methoxycyclohexa-1,3-dien-1-yl)-1,3-thiazol-2-yl]morpholine (CID 123283981) is 4-[4-(2-methoxycyclohexa-1,3-dien-1-yl)-1,3-thiazol-2-yl]morpholine.
What is the SMILES notation for 4-[4-(2-methoxycyclohexa-1,3-dien-1-yl)-1,3-thiazol-2-yl]morpholine?
The canonical SMILES for 4-[4-(2-methoxycyclohexa-1,3-dien-1-yl)-1,3-thiazol-2-yl]morpholine is COC1=C(c2csc(N3CCOCC3)n2)CCC=C1.
What is the InChIKey of 4-[4-(2-methoxycyclohexa-1,3-dien-1-yl)-1,3-thiazol-2-yl]morpholine?
The InChIKey is BRDIRDLJYBZGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-17-13-5-3-2-4-11(13)12-10-19-14(15-12)16-6-8-18-9-7-16/h3,5,10H,2,4,6-9H2,1H3.
What are the key properties of 4-[4-(2-methoxycyclohexa-1,3-dien-1-yl)-1,3-thiazol-2-yl]morpholine?
4-[4-(2-methoxycyclohexa-1,3-dien-1-yl)-1,3-thiazol-2-yl]morpholine has a molecular weight of 278.38 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methoxycyclohexa-1,3-dien-1-yl)-1,3-thiazol-2-yl]morpholine is sourced from PubChem (CID 123283981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).