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

C16H18N2O2S — CID 86991467

IUPAC(2,2-dimethylmorpholin-4-yl)-(2-phenyl-1,3-thiazol-5-yl)methanone
SMILESCC1(C)CN(C(=O)c2cnc(-c3ccccc3)s2)CCO1
InChIInChI=1S/C16H18N2O2S/c1-16(2)11-18(8-9-20-16)15(19)13-10-17-14(21-13)12-6-4-3-5-7-12/h3-7,10H,8-9,11H2,1-2H3
InChIKeyFTTGNDQZNYKBJS-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.06
Rot. Bonds2

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

(2,2-dimethylmorpholin-4-yl)-(2-phenyl-1,3-thiazol-5-yl)methanone (PubChem CID 86991467) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is (2,2-dimethylmorpholin-4-yl)-(2-phenyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name(2,2-dimethylmorpholin-4-yl)-(2-phenyl-1,3-thiazol-5-yl)methanone
PubChem CID86991467
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name(2,2-dimethylmorpholin-4-yl)-(2-phenyl-1,3-thiazol-5-yl)methanone
SMILESCC1(C)CN(C(=O)c2cnc(-c3ccccc3)s2)CCO1
InChIInChI=1S/C16H18N2O2S/c1-16(2)11-18(8-9-20-16)15(19)13-10-17-14(21-13)12-6-4-3-5-7-12/h3-7,10H,8-9,11H2,1-2H3
InChIKeyFTTGNDQZNYKBJS-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Thiazole derivative, 29c
CID 25023818
(2-Phenylethynyl-thiazol-5-yl)-piperidin-1-yl-methanone
CID 51049976
1-(2-Phenyl-1,3-thiazol-5-yl)ethan-1-one
CID 608996
3-(Dimethylamino)-1-(2-phenyl-1,3-thiazol-5-yl)-2-propen-1-one
CID 6184028
3-oxo-3-(2-phenyl-1,3-thiazol-5-yl)propanal O-methyloxime
CID 9638908
N-[3-(azepan-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 164613815
(4-Methyl-2-phenyl-1,3-thiazol-5-yl)(morpholino)methanone
CID 23968873
Morpholin-4-yl-(2-naphthalen-1-yl-1,3-thiazol-5-yl)methanone
CID 137645858
N-[3-(3-methylpyrrolidin-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 164609398
2-phenyl-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazole-5-carboxamide
CID 164611021
N-[3-(dimethylamino)propyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 164615283
N-[3-(4-methoxypiperidin-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 164617757

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylmorpholin-4-yl)-(2-phenyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of (2,2-dimethylmorpholin-4-yl)-(2-phenyl-1,3-thiazol-5-yl)methanone (CID 86991467) is (2,2-dimethylmorpholin-4-yl)-(2-phenyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for (2,2-dimethylmorpholin-4-yl)-(2-phenyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for (2,2-dimethylmorpholin-4-yl)-(2-phenyl-1,3-thiazol-5-yl)methanone is CC1(C)CN(C(=O)c2cnc(-c3ccccc3)s2)CCO1.
What is the InChIKey of (2,2-dimethylmorpholin-4-yl)-(2-phenyl-1,3-thiazol-5-yl)methanone?
The InChIKey is FTTGNDQZNYKBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-16(2)11-18(8-9-20-16)15(19)13-10-17-14(21-13)12-6-4-3-5-7-12/h3-7,10H,8-9,11H2,1-2H3.
What are the key properties of (2,2-dimethylmorpholin-4-yl)-(2-phenyl-1,3-thiazol-5-yl)methanone?
(2,2-dimethylmorpholin-4-yl)-(2-phenyl-1,3-thiazol-5-yl)methanone has a molecular weight of 302.40 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylmorpholin-4-yl)-(2-phenyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 86991467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).