5-[[2-(2-chlorophenyl)-5,5-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-amine

C16H20ClN3OS — CID 120903354

IUPAC5-[[2-(2-chlorophenyl)-5,5-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-amine
SMILESCC1(C)COC(c2ccccc2Cl)CN1Cc1cnc(N)s1
InChIInChI=1S/C16H20ClN3OS/c1-16(2)10-21-14(12-5-3-4-6-13(12)17)9-20(16)8-11-7-19-15(18)22-11/h3-7,14H,8-10H2,1-2H3,(H2,18,19)
InChIKeyVQAUWFXPCXNSHO-UHFFFAOYSA-N
MW337.88 g/mol
LogP3.73
Rot. Bonds3

About 5-[[2-(2-chlorophenyl)-5,5-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-amine

5-[[2-(2-chlorophenyl)-5,5-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-amine (PubChem CID 120903354) has the molecular formula C16H20ClN3OS and a molecular weight of 337.88 g/mol. Its IUPAC name is 5-[[2-(2-chlorophenyl)-5,5-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[2-(2-chlorophenyl)-5,5-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-amine
PubChem CID120903354
Molecular FormulaC16H20ClN3OS
Molecular Weight337.88 g/mol
Exact Mass337.10
IUPAC Name5-[[2-(2-chlorophenyl)-5,5-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-amine
SMILESCC1(C)COC(c2ccccc2Cl)CN1Cc1cnc(N)s1
InChIInChI=1S/C16H20ClN3OS/c1-16(2)10-21-14(12-5-3-4-6-13(12)17)9-20(16)8-11-7-19-15(18)22-11/h3-7,14H,8-10H2,1-2H3,(H2,18,19)
InChIKeyVQAUWFXPCXNSHO-UHFFFAOYSA-N
XLogP3.73
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.88
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-chlorophenyl)-5,5-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[[2-(2-chlorophenyl)-5,5-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-amine (CID 120903354) is 5-[[2-(2-chlorophenyl)-5,5-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[2-(2-chlorophenyl)-5,5-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[2-(2-chlorophenyl)-5,5-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-amine is CC1(C)COC(c2ccccc2Cl)CN1Cc1cnc(N)s1.
What is the InChIKey of 5-[[2-(2-chlorophenyl)-5,5-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-amine?
The InChIKey is VQAUWFXPCXNSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3OS/c1-16(2)10-21-14(12-5-3-4-6-13(12)17)9-20(16)8-11-7-19-15(18)22-11/h3-7,14H,8-10H2,1-2H3,(H2,18,19).
What are the key properties of 5-[[2-(2-chlorophenyl)-5,5-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-amine?
5-[[2-(2-chlorophenyl)-5,5-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-amine has a molecular weight of 337.88 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-chlorophenyl)-5,5-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 120903354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).