1-methyl-4-[2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]piperidin-2-one

C18H21N3O2S2 — CID 138998269

IUPAC1-methyl-4-[2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]piperidin-2-one
SMILESCc1nc(-c2cc3c(s2)CCN(C(=O)C2CCN(C)C(=O)C2)C3)cs1
InChIInChI=1S/C18H21N3O2S2/c1-11-19-14(10-24-11)16-7-13-9-21(6-4-15(13)25-16)18(23)12-3-5-20(2)17(22)8-12/h7,10,12H,3-6,8-9H2,1-2H3
InChIKeyXRSMJMLBXXIRTA-UHFFFAOYSA-N
MW375.52 g/mol
LogP2.93
Rot. Bonds2

About 1-methyl-4-[2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]piperidin-2-one

1-methyl-4-[2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]piperidin-2-one (PubChem CID 138998269) has the molecular formula C18H21N3O2S2 and a molecular weight of 375.52 g/mol. Its IUPAC name is 1-methyl-4-[2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]piperidin-2-one.

Molecular Properties

Compound Name1-methyl-4-[2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]piperidin-2-one
PubChem CID138998269
Molecular FormulaC18H21N3O2S2
Molecular Weight375.52 g/mol
Exact Mass375.11
IUPAC Name1-methyl-4-[2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]piperidin-2-one
SMILESCc1nc(-c2cc3c(s2)CCN(C(=O)C2CCN(C)C(=O)C2)C3)cs1
InChIInChI=1S/C18H21N3O2S2/c1-11-19-14(10-24-11)16-7-13-9-21(6-4-15(13)25-16)18(23)12-3-5-20(2)17(22)8-12/h7,10,12H,3-6,8-9H2,1-2H3
InChIKeyXRSMJMLBXXIRTA-UHFFFAOYSA-N
XLogP2.93
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]piperidin-2-one?
The IUPAC name of 1-methyl-4-[2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]piperidin-2-one (CID 138998269) is 1-methyl-4-[2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]piperidin-2-one.
What is the SMILES notation for 1-methyl-4-[2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]piperidin-2-one?
The canonical SMILES for 1-methyl-4-[2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]piperidin-2-one is Cc1nc(-c2cc3c(s2)CCN(C(=O)C2CCN(C)C(=O)C2)C3)cs1.
What is the InChIKey of 1-methyl-4-[2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]piperidin-2-one?
The InChIKey is XRSMJMLBXXIRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S2/c1-11-19-14(10-24-11)16-7-13-9-21(6-4-15(13)25-16)18(23)12-3-5-20(2)17(22)8-12/h7,10,12H,3-6,8-9H2,1-2H3.
What are the key properties of 1-methyl-4-[2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]piperidin-2-one?
1-methyl-4-[2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]piperidin-2-one has a molecular weight of 375.52 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]piperidin-2-one is sourced from PubChem (CID 138998269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).