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

C14H16N2O2S2 — CID 35020871

IUPAC(2,2-dimethylmorpholin-4-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
SMILESCC1(C)CN(C(=O)c2csc(-c3ccsc3)n2)CCO1
InChIInChI=1S/C14H16N2O2S2/c1-14(2)9-16(4-5-18-14)13(17)11-8-20-12(15-11)10-3-6-19-7-10/h3,6-8H,4-5,9H2,1-2H3
InChIKeyIDEFUCPLQFHONX-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.12
Rot. Bonds2

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

(2,2-dimethylmorpholin-4-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone (PubChem CID 35020871) has the molecular formula C14H16N2O2S2 and a molecular weight of 308.43 g/mol. Its IUPAC name is (2,2-dimethylmorpholin-4-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(2,2-dimethylmorpholin-4-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
PubChem CID35020871
Molecular FormulaC14H16N2O2S2
Molecular Weight308.43 g/mol
Exact Mass308.07
IUPAC Name(2,2-dimethylmorpholin-4-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
SMILESCC1(C)CN(C(=O)c2csc(-c3ccsc3)n2)CCO1
InChIInChI=1S/C14H16N2O2S2/c1-14(2)9-16(4-5-18-14)13(17)11-8-20-12(15-11)10-3-6-19-7-10/h3,6-8H,4-5,9H2,1-2H3
InChIKeyIDEFUCPLQFHONX-UHFFFAOYSA-N
XLogP3.12
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
CID 43073356
[2-(Methoxymethyl)-1,3-thiazol-4-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 48573949
(2,2-Dimethylmorpholin-4-yl)-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
CID 35021811
N-[3-methyl-1-(2-morpholin-4-ylethylamino)-1-oxopentan-2-yl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 42960905
N-[2-(dimethylamino)-2-oxoethyl]-2-thiophen-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 86997213
N-(2-hydroxyethyl)-2-thiophen-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 103857308
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 107482801
N-methyl-2-thiophen-3-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-4-carboxamide
CID 109994737
N-(cyclopropylmethyl)-N-propan-2-yl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 40149808
N-(oxolan-2-ylmethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 45855039
2,5-Dimethyl-4-[2-(thiophen-3-yl)-1,3-thiazole-4-carbonyl]morpholine
CID 56811758
N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 8242092

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylmorpholin-4-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone?
The IUPAC name of (2,2-dimethylmorpholin-4-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone (CID 35020871) is (2,2-dimethylmorpholin-4-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for (2,2-dimethylmorpholin-4-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for (2,2-dimethylmorpholin-4-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone is CC1(C)CN(C(=O)c2csc(-c3ccsc3)n2)CCO1.
What is the InChIKey of (2,2-dimethylmorpholin-4-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone?
The InChIKey is IDEFUCPLQFHONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S2/c1-14(2)9-16(4-5-18-14)13(17)11-8-20-12(15-11)10-3-6-19-7-10/h3,6-8H,4-5,9H2,1-2H3.
What are the key properties of (2,2-dimethylmorpholin-4-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone?
(2,2-dimethylmorpholin-4-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone has a molecular weight of 308.43 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylmorpholin-4-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 35020871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).