(3-methylmorpholin-4-yl)-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone

C16H18N2O2S — CID 110309752

IUPAC(3-methylmorpholin-4-yl)-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone
SMILESCc1nc(-c2ccccc2)sc1C(=O)N1CCOCC1C
InChIInChI=1S/C16H18N2O2S/c1-11-10-20-9-8-18(11)16(19)14-12(2)17-15(21-14)13-6-4-3-5-7-13/h3-7,11H,8-10H2,1-2H3
InChIKeyBQJHZALAMRAPAX-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.98
Rot. Bonds2

About (3-methylmorpholin-4-yl)-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone

(3-methylmorpholin-4-yl)-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone (PubChem CID 110309752) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is (3-methylmorpholin-4-yl)-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name(3-methylmorpholin-4-yl)-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone
PubChem CID110309752
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name(3-methylmorpholin-4-yl)-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone
SMILESCc1nc(-c2ccccc2)sc1C(=O)N1CCOCC1C
InChIInChI=1S/C16H18N2O2S/c1-11-10-20-9-8-18(11)16(19)14-12(2)17-15(21-14)13-6-4-3-5-7-13/h3-7,11H,8-10H2,1-2H3
InChIKeyBQJHZALAMRAPAX-UHFFFAOYSA-N
XLogP2.98
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methylmorpholin-4-yl)-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of (3-methylmorpholin-4-yl)-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone (CID 110309752) is (3-methylmorpholin-4-yl)-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for (3-methylmorpholin-4-yl)-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for (3-methylmorpholin-4-yl)-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone is Cc1nc(-c2ccccc2)sc1C(=O)N1CCOCC1C.
What is the InChIKey of (3-methylmorpholin-4-yl)-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone?
The InChIKey is BQJHZALAMRAPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-11-10-20-9-8-18(11)16(19)14-12(2)17-15(21-14)13-6-4-3-5-7-13/h3-7,11H,8-10H2,1-2H3.
What are the key properties of (3-methylmorpholin-4-yl)-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone?
(3-methylmorpholin-4-yl)-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone has a molecular weight of 302.40 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylmorpholin-4-yl)-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 110309752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).