[(2R,5S)-2,5-dimethylmorpholin-4-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone

C15H18N2O2S2 — CID 94051410

IUPAC[(2R,5S)-2,5-dimethylmorpholin-4-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone
SMILESCc1nc(-c2ccsc2)sc1C(=O)N1C[C@@H](C)OC[C@@H]1C
InChIInChI=1S/C15H18N2O2S2/c1-9-7-19-10(2)6-17(9)15(18)13-11(3)16-14(21-13)12-4-5-20-8-12/h4-5,8-10H,6-7H2,1-3H3/t9-,10+/m0/s1
InChIKeyNDRLRFSVHOZZJP-VHSXEESVSA-N
MW322.46 g/mol
LogP3.43
Rot. Bonds2

About [(2R,5S)-2,5-dimethylmorpholin-4-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone

[(2R,5S)-2,5-dimethylmorpholin-4-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone (PubChem CID 94051410) has the molecular formula C15H18N2O2S2 and a molecular weight of 322.46 g/mol. Its IUPAC name is [(2R,5S)-2,5-dimethylmorpholin-4-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[(2R,5S)-2,5-dimethylmorpholin-4-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone
PubChem CID94051410
Molecular FormulaC15H18N2O2S2
Molecular Weight322.46 g/mol
Exact Mass322.08
IUPAC Name[(2R,5S)-2,5-dimethylmorpholin-4-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone
SMILESCc1nc(-c2ccsc2)sc1C(=O)N1C[C@@H](C)OC[C@@H]1C
InChIInChI=1S/C15H18N2O2S2/c1-9-7-19-10(2)6-17(9)15(18)13-11(3)16-14(21-13)12-4-5-20-8-12/h4-5,8-10H,6-7H2,1-3H3/t9-,10+/m0/s1
InChIKeyNDRLRFSVHOZZJP-VHSXEESVSA-N
XLogP3.43
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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2,2-dimethyl-1-[4-(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]propan-1-one
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[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
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[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-[(3R)-3-methylmorpholin-4-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of [(2R,5S)-2,5-dimethylmorpholin-4-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [(2R,5S)-2,5-dimethylmorpholin-4-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone (CID 94051410) is [(2R,5S)-2,5-dimethylmorpholin-4-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [(2R,5S)-2,5-dimethylmorpholin-4-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [(2R,5S)-2,5-dimethylmorpholin-4-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone is Cc1nc(-c2ccsc2)sc1C(=O)N1C[C@@H](C)OC[C@@H]1C.
What is the InChIKey of [(2R,5S)-2,5-dimethylmorpholin-4-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone?
The InChIKey is NDRLRFSVHOZZJP-VHSXEESVSA-N. The full InChI is InChI=1S/C15H18N2O2S2/c1-9-7-19-10(2)6-17(9)15(18)13-11(3)16-14(21-13)12-4-5-20-8-12/h4-5,8-10H,6-7H2,1-3H3/t9-,10+/m0/s1.
What are the key properties of [(2R,5S)-2,5-dimethylmorpholin-4-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone?
[(2R,5S)-2,5-dimethylmorpholin-4-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone has a molecular weight of 322.46 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5S)-2,5-dimethylmorpholin-4-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 94051410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).