(2R)-2-methyl-2-(1-methylpyrazol-4-yl)-4-(4-phenyl-1,3-thiazol-2-yl)morpholine

C18H20N4OS — CID 97090741

IUPAC(2R)-2-methyl-2-(1-methylpyrazol-4-yl)-4-(4-phenyl-1,3-thiazol-2-yl)morpholine
SMILESCn1cc([C@]2(C)CN(c3nc(-c4ccccc4)cs3)CCO2)cn1
InChIInChI=1S/C18H20N4OS/c1-18(15-10-19-21(2)11-15)13-22(8-9-23-18)17-20-16(12-24-17)14-6-4-3-5-7-14/h3-7,10-12H,8-9,13H2,1-2H3/t18-/m0/s1
InChIKeyWTMPEIYMBABWRM-SFHVURJKSA-N
MW340.45 g/mol
LogP3.30
Rot. Bonds3

About (2R)-2-methyl-2-(1-methylpyrazol-4-yl)-4-(4-phenyl-1,3-thiazol-2-yl)morpholine

(2R)-2-methyl-2-(1-methylpyrazol-4-yl)-4-(4-phenyl-1,3-thiazol-2-yl)morpholine (PubChem CID 97090741) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is (2R)-2-methyl-2-(1-methylpyrazol-4-yl)-4-(4-phenyl-1,3-thiazol-2-yl)morpholine.

Molecular Properties

Compound Name(2R)-2-methyl-2-(1-methylpyrazol-4-yl)-4-(4-phenyl-1,3-thiazol-2-yl)morpholine
PubChem CID97090741
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name(2R)-2-methyl-2-(1-methylpyrazol-4-yl)-4-(4-phenyl-1,3-thiazol-2-yl)morpholine
SMILESCn1cc([C@]2(C)CN(c3nc(-c4ccccc4)cs3)CCO2)cn1
InChIInChI=1S/C18H20N4OS/c1-18(15-10-19-21(2)11-15)13-22(8-9-23-18)17-20-16(12-24-17)14-6-4-3-5-7-14/h3-7,10-12H,8-9,13H2,1-2H3/t18-/m0/s1
InChIKeyWTMPEIYMBABWRM-SFHVURJKSA-N
XLogP3.30
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-2-(1-methylpyrazol-4-yl)-4-(4-phenyl-1,3-thiazol-2-yl)morpholine?
The IUPAC name of (2R)-2-methyl-2-(1-methylpyrazol-4-yl)-4-(4-phenyl-1,3-thiazol-2-yl)morpholine (CID 97090741) is (2R)-2-methyl-2-(1-methylpyrazol-4-yl)-4-(4-phenyl-1,3-thiazol-2-yl)morpholine.
What is the SMILES notation for (2R)-2-methyl-2-(1-methylpyrazol-4-yl)-4-(4-phenyl-1,3-thiazol-2-yl)morpholine?
The canonical SMILES for (2R)-2-methyl-2-(1-methylpyrazol-4-yl)-4-(4-phenyl-1,3-thiazol-2-yl)morpholine is Cn1cc([C@]2(C)CN(c3nc(-c4ccccc4)cs3)CCO2)cn1.
What is the InChIKey of (2R)-2-methyl-2-(1-methylpyrazol-4-yl)-4-(4-phenyl-1,3-thiazol-2-yl)morpholine?
The InChIKey is WTMPEIYMBABWRM-SFHVURJKSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-18(15-10-19-21(2)11-15)13-22(8-9-23-18)17-20-16(12-24-17)14-6-4-3-5-7-14/h3-7,10-12H,8-9,13H2,1-2H3/t18-/m0/s1.
What are the key properties of (2R)-2-methyl-2-(1-methylpyrazol-4-yl)-4-(4-phenyl-1,3-thiazol-2-yl)morpholine?
(2R)-2-methyl-2-(1-methylpyrazol-4-yl)-4-(4-phenyl-1,3-thiazol-2-yl)morpholine has a molecular weight of 340.45 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-2-(1-methylpyrazol-4-yl)-4-(4-phenyl-1,3-thiazol-2-yl)morpholine is sourced from PubChem (CID 97090741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).