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

C17H19N3O2S2 — CID 154741296

IUPAC4-[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)C2CCNC(=O)C2)C3)cs1
InChIInChI=1S/C17H19N3O2S2/c1-10-19-13(9-23-10)15-6-12-8-20(5-3-14(12)24-15)17(22)11-2-4-18-16(21)7-11/h6,9,11H,2-5,7-8H2,1H3,(H,18,21)
InChIKeyNVZFHGHASIGQTM-UHFFFAOYSA-N
MW361.49 g/mol
LogP2.59
Rot. Bonds2

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

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 154741296) has the molecular formula C17H19N3O2S2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 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 Name4-[2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]piperidin-2-one
PubChem CID154741296
Molecular FormulaC17H19N3O2S2
Molecular Weight361.49 g/mol
Exact Mass361.09
IUPAC Name4-[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)C2CCNC(=O)C2)C3)cs1
InChIInChI=1S/C17H19N3O2S2/c1-10-19-13(9-23-10)15-6-12-8-20(5-3-14(12)24-15)17(22)11-2-4-18-16(21)7-11/h6,9,11H,2-5,7-8H2,1H3,(H,18,21)
InChIKeyNVZFHGHASIGQTM-UHFFFAOYSA-N
XLogP2.59
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
4-[2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]cyclohexane-1-carboxylic acid
CID 120674685
1-[3-[2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]piperidin-1-yl]butan-1-one
CID 138998272
(5-methyloxolan-2-yl)-[2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 75515309
(2-methyl-1,3-thiazol-4-yl)-[2-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 131690678
5-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 127736454
4-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)piperidin-2-one
CID 170502297
5-[5-(cyclopropanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-2-hydroxy-3-methylbenzaldehyde
CID 158534379
(5R)-5-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindole-1-carbonyl]piperidin-2-one
CID 94181117
5-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
CID 166246760
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]methanone
CID 171993747
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(pyrrolidin-3-yl)methanone;hydrochloride
CID 119700115

Frequently Asked Questions

What is the IUPAC name of 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 4-[2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]piperidin-2-one (CID 154741296) is 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 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 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)C2CCNC(=O)C2)C3)cs1.
What is the InChIKey of 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 NVZFHGHASIGQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S2/c1-10-19-13(9-23-10)15-6-12-8-20(5-3-14(12)24-15)17(22)11-2-4-18-16(21)7-11/h6,9,11H,2-5,7-8H2,1H3,(H,18,21).
What are the key properties of 4-[2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]piperidin-2-one?
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 361.49 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 154741296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).