[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)azetidin-3-yl]-morpholin-4-ylmethanone

C14H19N3O3S — CID 110082514

IUPAC[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)azetidin-3-yl]-morpholin-4-ylmethanone
SMILESCc1nc(C)c(C(=O)N2CC(C(=O)N3CCOCC3)C2)s1
InChIInChI=1S/C14H19N3O3S/c1-9-12(21-10(2)15-9)14(19)17-7-11(8-17)13(18)16-3-5-20-6-4-16/h11H,3-8H2,1-2H3
InChIKeyXFRXPAKMBBXUKT-UHFFFAOYSA-N
MW309.39 g/mol
LogP0.69
Rot. Bonds2

About [1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)azetidin-3-yl]-morpholin-4-ylmethanone

[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)azetidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 110082514) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is [1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)azetidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)azetidin-3-yl]-morpholin-4-ylmethanone
PubChem CID110082514
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)azetidin-3-yl]-morpholin-4-ylmethanone
SMILESCc1nc(C)c(C(=O)N2CC(C(=O)N3CCOCC3)C2)s1
InChIInChI=1S/C14H19N3O3S/c1-9-12(21-10(2)15-9)14(19)17-7-11(8-17)13(18)16-3-5-20-6-4-16/h11H,3-8H2,1-2H3
InChIKeyXFRXPAKMBBXUKT-UHFFFAOYSA-N
XLogP0.69
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

cyclopropyl-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone
CID 32890593
cyclopentyl-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone
CID 36515172
(2,4-dimethyl-1,3-thiazol-5-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81208761
(2,4-dimethyl-1,3-thiazol-5-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 95274470
2-[(2S)-4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]acetic acid
CID 124515375
(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 71873404
[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 55507288
(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanone
CID 126891681
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56699345
[(3R)-3-aminopyrrolidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 103805034
[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 38491382
2-[(3R)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-5-morpholin-4-ylpyridazin-3-one
CID 129325104

Frequently Asked Questions

What is the IUPAC name of [1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)azetidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)azetidin-3-yl]-morpholin-4-ylmethanone (CID 110082514) is [1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)azetidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)azetidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)azetidin-3-yl]-morpholin-4-ylmethanone is Cc1nc(C)c(C(=O)N2CC(C(=O)N3CCOCC3)C2)s1.
What is the InChIKey of [1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)azetidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is XFRXPAKMBBXUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-9-12(21-10(2)15-9)14(19)17-7-11(8-17)13(18)16-3-5-20-6-4-16/h11H,3-8H2,1-2H3.
What are the key properties of [1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)azetidin-3-yl]-morpholin-4-ylmethanone?
[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)azetidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 309.39 g/mol, XLogP of 0.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)azetidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 110082514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).