1-(2-methylmorpholin-4-yl)-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propan-1-one

C16H19N3O2S — CID 110631362

IUPAC1-(2-methylmorpholin-4-yl)-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propan-1-one
SMILESCC1CN(C(=O)CCc2csc(-c3ccccn3)n2)CCO1
InChIInChI=1S/C16H19N3O2S/c1-12-10-19(8-9-21-12)15(20)6-5-13-11-22-16(18-13)14-4-2-3-7-17-14/h2-4,7,11-12H,5-6,8-10H2,1H3
InChIKeyROOMDHCCILYNNZ-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.38
Rot. Bonds4

About 1-(2-methylmorpholin-4-yl)-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propan-1-one

1-(2-methylmorpholin-4-yl)-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propan-1-one (PubChem CID 110631362) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 1-(2-methylmorpholin-4-yl)-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(2-methylmorpholin-4-yl)-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propan-1-one
PubChem CID110631362
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name1-(2-methylmorpholin-4-yl)-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propan-1-one
SMILESCC1CN(C(=O)CCc2csc(-c3ccccn3)n2)CCO1
InChIInChI=1S/C16H19N3O2S/c1-12-10-19(8-9-21-12)15(20)6-5-13-11-22-16(18-13)14-4-2-3-7-17-14/h2-4,7,11-12H,5-6,8-10H2,1H3
InChIKeyROOMDHCCILYNNZ-UHFFFAOYSA-N
XLogP2.38
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propan-1-one
CID 110633933
1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propan-1-one
CID 110610717
1-morpholin-4-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone
CID 33236750
1-(3-methylpiperidin-1-yl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propan-1-one
CID 110649386
[2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 55506929
1-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone
CID 94643466
3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-(2-methylmorpholin-4-yl)propan-1-one
CID 110631367
1-(2-methylmorpholin-4-yl)-4-pyridin-3-ylbutane-1,4-dione
CID 110631390
2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-1-[(2R)-2-methylmorpholin-4-yl]ethanone
CID 94676087
N-methyl-N-[2-(oxan-2-yl)ethyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
CID 110614300
1-[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propan-1-one
CID 110411595
1-(2-methylmorpholin-4-yl)-4-thiophen-2-ylbutan-1-one
CID 47016281

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylmorpholin-4-yl)-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propan-1-one?
The IUPAC name of 1-(2-methylmorpholin-4-yl)-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propan-1-one (CID 110631362) is 1-(2-methylmorpholin-4-yl)-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propan-1-one.
What is the SMILES notation for 1-(2-methylmorpholin-4-yl)-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propan-1-one?
The canonical SMILES for 1-(2-methylmorpholin-4-yl)-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propan-1-one is CC1CN(C(=O)CCc2csc(-c3ccccn3)n2)CCO1.
What is the InChIKey of 1-(2-methylmorpholin-4-yl)-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propan-1-one?
The InChIKey is ROOMDHCCILYNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-12-10-19(8-9-21-12)15(20)6-5-13-11-22-16(18-13)14-4-2-3-7-17-14/h2-4,7,11-12H,5-6,8-10H2,1H3.
What are the key properties of 1-(2-methylmorpholin-4-yl)-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propan-1-one?
1-(2-methylmorpholin-4-yl)-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propan-1-one has a molecular weight of 317.41 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylmorpholin-4-yl)-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propan-1-one is sourced from PubChem (CID 110631362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).