[(3S)-3-methylmorpholin-4-yl]-[6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-2-yl]methanone

C16H15N3O2S2 — CID 172583459

IUPAC[(3S)-3-methylmorpholin-4-yl]-[6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-2-yl]methanone
SMILESC[C@H]1COCCN1C(=O)c1cc2ccc(-c3nccs3)nc2s1
InChIInChI=1S/C16H15N3O2S2/c1-10-9-21-6-5-19(10)16(20)13-8-11-2-3-12(18-14(11)23-13)15-17-4-7-22-15/h2-4,7-8,10H,5-6,9H2,1H3/t10-/m0/s1
InChIKeyQKYSKCKSKBMEPQ-JTQLQIEISA-N
MW345.45 g/mol
LogP3.28
Rot. Bonds2

About [(3S)-3-methylmorpholin-4-yl]-[6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-2-yl]methanone

[(3S)-3-methylmorpholin-4-yl]-[6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-2-yl]methanone (PubChem CID 172583459) has the molecular formula C16H15N3O2S2 and a molecular weight of 345.45 g/mol. Its IUPAC name is [(3S)-3-methylmorpholin-4-yl]-[6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-2-yl]methanone.

Molecular Properties

Compound Name[(3S)-3-methylmorpholin-4-yl]-[6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-2-yl]methanone
PubChem CID172583459
Molecular FormulaC16H15N3O2S2
Molecular Weight345.45 g/mol
Exact Mass345.06
IUPAC Name[(3S)-3-methylmorpholin-4-yl]-[6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-2-yl]methanone
SMILESC[C@H]1COCCN1C(=O)c1cc2ccc(-c3nccs3)nc2s1
InChIInChI=1S/C16H15N3O2S2/c1-10-9-21-6-5-19(10)16(20)13-8-11-2-3-12(18-14(11)23-13)15-17-4-7-22-15/h2-4,7-8,10H,5-6,9H2,1H3/t10-/m0/s1
InChIKeyQKYSKCKSKBMEPQ-JTQLQIEISA-N
XLogP3.28
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(3R)-3-methylmorpholin-4-yl]-[6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-2-yl]methanone
CID 172583428
1-methyl-5-[2-(3-methylmorpholine-4-carbonyl)thieno[2,3-b]pyridin-6-yl]pyridin-2-one
CID 172583527
5-[2-[(3R)-3-methylmorpholine-4-carbonyl]thieno[2,3-b]pyridin-6-yl]-1H-pyridin-2-one
CID 172583435
(3-methylmorpholin-4-yl)-[6-(3-methyltriazolo[4,5-b]pyridin-6-yl)thieno[2,3-b]pyridin-2-yl]methanone
CID 172583385
[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-(3-methylmorpholin-4-yl)methanone
CID 78896744
(3-methylmorpholin-4-yl)-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone
CID 110309752
(2-bromo-4-pyridinyl)-[(3R)-3-methylmorpholin-4-yl]methanone
CID 106832524
(6-chloro-3-pyridinyl)-(3-methylmorpholin-4-yl)methanone
CID 43429048
[3-(hydroxymethyl)morpholin-4-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone
CID 118760713
[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-[(3R)-3-methylmorpholin-4-yl]methanone
CID 94095663
(2-bromo-3-pyridinyl)-(3-methylmorpholin-4-yl)methanone
CID 103752337
(2-amino-4-methyl-1,3-thiazol-5-yl)-[(3R)-3-methylmorpholin-4-yl]methanone
CID 94600145

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-methylmorpholin-4-yl]-[6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-2-yl]methanone?
The IUPAC name of [(3S)-3-methylmorpholin-4-yl]-[6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-2-yl]methanone (CID 172583459) is [(3S)-3-methylmorpholin-4-yl]-[6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-2-yl]methanone.
What is the SMILES notation for [(3S)-3-methylmorpholin-4-yl]-[6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-2-yl]methanone?
The canonical SMILES for [(3S)-3-methylmorpholin-4-yl]-[6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-2-yl]methanone is C[C@H]1COCCN1C(=O)c1cc2ccc(-c3nccs3)nc2s1.
What is the InChIKey of [(3S)-3-methylmorpholin-4-yl]-[6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-2-yl]methanone?
The InChIKey is QKYSKCKSKBMEPQ-JTQLQIEISA-N. The full InChI is InChI=1S/C16H15N3O2S2/c1-10-9-21-6-5-19(10)16(20)13-8-11-2-3-12(18-14(11)23-13)15-17-4-7-22-15/h2-4,7-8,10H,5-6,9H2,1H3/t10-/m0/s1.
What are the key properties of [(3S)-3-methylmorpholin-4-yl]-[6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-2-yl]methanone?
[(3S)-3-methylmorpholin-4-yl]-[6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-2-yl]methanone has a molecular weight of 345.45 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-methylmorpholin-4-yl]-[6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-2-yl]methanone is sourced from PubChem (CID 172583459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).