1-morpholin-4-yl-2-[5-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]thiophen-2-yl]ethanone

C16H21N3O2S2 — CID 8750725

IUPAC1-morpholin-4-yl-2-[5-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]thiophen-2-yl]ethanone
SMILESCC(C)Nc1nc(-c2ccc(CC(=O)N3CCOCC3)s2)cs1
InChIInChI=1S/C16H21N3O2S2/c1-11(2)17-16-18-13(10-22-16)14-4-3-12(23-14)9-15(20)19-5-7-21-8-6-19/h3-4,10-11H,5-9H2,1-2H3,(H,17,18)
InChIKeyAOFAPWOWSBHDJR-UHFFFAOYSA-N
MW351.50 g/mol
LogP3.09
Rot. Bonds5

About 1-morpholin-4-yl-2-[5-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]thiophen-2-yl]ethanone

1-morpholin-4-yl-2-[5-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]thiophen-2-yl]ethanone (PubChem CID 8750725) has the molecular formula C16H21N3O2S2 and a molecular weight of 351.50 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[5-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[5-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]thiophen-2-yl]ethanone
PubChem CID8750725
Molecular FormulaC16H21N3O2S2
Molecular Weight351.50 g/mol
Exact Mass351.11
IUPAC Name1-morpholin-4-yl-2-[5-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]thiophen-2-yl]ethanone
SMILESCC(C)Nc1nc(-c2ccc(CC(=O)N3CCOCC3)s2)cs1
InChIInChI=1S/C16H21N3O2S2/c1-11(2)17-16-18-13(10-22-16)14-4-3-12(23-14)9-15(20)19-5-7-21-8-6-19/h3-4,10-11H,5-9H2,1-2H3,(H,17,18)
InChIKeyAOFAPWOWSBHDJR-UHFFFAOYSA-N
XLogP3.09
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.50
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(5-ethylthiophen-2-yl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 8750708
2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-1-morpholin-4-ylethanone
CID 82547942
4-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]benzoic acid
CID 59807342
1-[[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]amino]ethanol
CID 123786548
2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 2158825
2,2-dimethyl-N-[[5-(2-morpholin-4-yl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]propanamide
CID 17455867
2-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-1-morpholin-4-ylethanone
CID 17445145
1-morpholin-4-yl-2-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]ethanone
CID 9422033
N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-4-(morpholin-4-ylmethyl)benzamide
CID 17462344
2-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazole-4-carboxylic acid
CID 82154968
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 3623257
1-[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-2-[[4-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazol-2-yl]amino]butan-1-one
CID 143524720

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[5-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]thiophen-2-yl]ethanone?
The IUPAC name of 1-morpholin-4-yl-2-[5-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]thiophen-2-yl]ethanone (CID 8750725) is 1-morpholin-4-yl-2-[5-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]thiophen-2-yl]ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-[5-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]thiophen-2-yl]ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-[5-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]thiophen-2-yl]ethanone is CC(C)Nc1nc(-c2ccc(CC(=O)N3CCOCC3)s2)cs1.
What is the InChIKey of 1-morpholin-4-yl-2-[5-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]thiophen-2-yl]ethanone?
The InChIKey is AOFAPWOWSBHDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S2/c1-11(2)17-16-18-13(10-22-16)14-4-3-12(23-14)9-15(20)19-5-7-21-8-6-19/h3-4,10-11H,5-9H2,1-2H3,(H,17,18).
What are the key properties of 1-morpholin-4-yl-2-[5-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]thiophen-2-yl]ethanone?
1-morpholin-4-yl-2-[5-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]thiophen-2-yl]ethanone has a molecular weight of 351.50 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-[5-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]thiophen-2-yl]ethanone is sourced from PubChem (CID 8750725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).