(3R)-4-[(3,5-dimethoxyphenyl)methyl]-3-(2-methyl-1,3-thiazol-4-yl)morpholine

C17H22N2O3S — CID 97485599

IUPAC(3R)-4-[(3,5-dimethoxyphenyl)methyl]-3-(2-methyl-1,3-thiazol-4-yl)morpholine
SMILESCOc1cc(CN2CCOC[C@H]2c2csc(C)n2)cc(OC)c1
InChIInChI=1S/C17H22N2O3S/c1-12-18-16(11-23-12)17-10-22-5-4-19(17)9-13-6-14(20-2)8-15(7-13)21-3/h6-8,11,17H,4-5,9-10H2,1-3H3/t17-/m0/s1
InChIKeyZXZFBXFGCKXUIV-KRWDZBQOSA-N
MW334.44 g/mol
LogP3.04
Rot. Bonds5

About (3R)-4-[(3,5-dimethoxyphenyl)methyl]-3-(2-methyl-1,3-thiazol-4-yl)morpholine

(3R)-4-[(3,5-dimethoxyphenyl)methyl]-3-(2-methyl-1,3-thiazol-4-yl)morpholine (PubChem CID 97485599) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is (3R)-4-[(3,5-dimethoxyphenyl)methyl]-3-(2-methyl-1,3-thiazol-4-yl)morpholine.

Molecular Properties

Compound Name(3R)-4-[(3,5-dimethoxyphenyl)methyl]-3-(2-methyl-1,3-thiazol-4-yl)morpholine
PubChem CID97485599
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC Name(3R)-4-[(3,5-dimethoxyphenyl)methyl]-3-(2-methyl-1,3-thiazol-4-yl)morpholine
SMILESCOc1cc(CN2CCOC[C@H]2c2csc(C)n2)cc(OC)c1
InChIInChI=1S/C17H22N2O3S/c1-12-18-16(11-23-12)17-10-22-5-4-19(17)9-13-6-14(20-2)8-15(7-13)21-3/h6-8,11,17H,4-5,9-10H2,1-3H3/t17-/m0/s1
InChIKeyZXZFBXFGCKXUIV-KRWDZBQOSA-N
XLogP3.04
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-3-(2-methyl-1,3-thiazol-4-yl)-4-(1,3-thiazol-2-ylmethyl)morpholine
CID 97487327
3-(2-methyl-1,3-thiazol-4-yl)-4-[(4-methyl-1,3-thiazol-2-yl)methyl]morpholine
CID 131661818
4-(furan-2-ylmethyl)-3-(2-methyl-1,3-thiazol-4-yl)morpholine
CID 131646432
3-(2-methyl-1,3-thiazol-4-yl)-4-(2-phenylmethoxyethyl)morpholine
CID 131642420
4-[(6-methyl-2-pyridinyl)methyl]-3-(2-methyl-1,3-thiazol-4-yl)morpholine;bis(2,2,2-trifluoroacetic acid)
CID 155844122
2-(4-methylphenoxy)-1-[3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]ethanone
CID 131654980
1-[3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]-2-pyridin-2-ylethanone
CID 131657943
3-(4-chlorophenyl)-1-[(3R)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]propan-1-one
CID 97485746
4-[(4-methoxyphenyl)methyl]-3-methylmorpholine
CID 67042011
1-[(3R)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]-2-thiophen-3-ylethanone
CID 97485469
(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine
CID 125004035
2-methyl-4-[(3S)-4-(thiophen-3-ylmethyl)morpholin-3-yl]-1H-pyrimidin-6-one
CID 137030456

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[(3,5-dimethoxyphenyl)methyl]-3-(2-methyl-1,3-thiazol-4-yl)morpholine?
The IUPAC name of (3R)-4-[(3,5-dimethoxyphenyl)methyl]-3-(2-methyl-1,3-thiazol-4-yl)morpholine (CID 97485599) is (3R)-4-[(3,5-dimethoxyphenyl)methyl]-3-(2-methyl-1,3-thiazol-4-yl)morpholine.
What is the SMILES notation for (3R)-4-[(3,5-dimethoxyphenyl)methyl]-3-(2-methyl-1,3-thiazol-4-yl)morpholine?
The canonical SMILES for (3R)-4-[(3,5-dimethoxyphenyl)methyl]-3-(2-methyl-1,3-thiazol-4-yl)morpholine is COc1cc(CN2CCOC[C@H]2c2csc(C)n2)cc(OC)c1.
What is the InChIKey of (3R)-4-[(3,5-dimethoxyphenyl)methyl]-3-(2-methyl-1,3-thiazol-4-yl)morpholine?
The InChIKey is ZXZFBXFGCKXUIV-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-12-18-16(11-23-12)17-10-22-5-4-19(17)9-13-6-14(20-2)8-15(7-13)21-3/h6-8,11,17H,4-5,9-10H2,1-3H3/t17-/m0/s1.
What are the key properties of (3R)-4-[(3,5-dimethoxyphenyl)methyl]-3-(2-methyl-1,3-thiazol-4-yl)morpholine?
(3R)-4-[(3,5-dimethoxyphenyl)methyl]-3-(2-methyl-1,3-thiazol-4-yl)morpholine has a molecular weight of 334.44 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[(3,5-dimethoxyphenyl)methyl]-3-(2-methyl-1,3-thiazol-4-yl)morpholine is sourced from PubChem (CID 97485599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).