(5R)-5-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindole-1-carbonyl]piperidin-2-one

C18H19N3O2S — CID 94181117

IUPAC(5R)-5-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindole-1-carbonyl]piperidin-2-one
SMILESCc1nc(-c2ccc3c(c2)CCN3C(=O)[C@@H]2CCC(=O)NC2)cs1
InChIInChI=1S/C18H19N3O2S/c1-11-20-15(10-24-11)12-2-4-16-13(8-12)6-7-21(16)18(23)14-3-5-17(22)19-9-14/h2,4,8,10,14H,3,5-7,9H2,1H3,(H,19,22)/t14-/m1/s1
InChIKeyOPWJTVRXDTUMEZ-CQSZACIVSA-N
MW341.44 g/mol
LogP2.53
Rot. Bonds2

About (5R)-5-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindole-1-carbonyl]piperidin-2-one

(5R)-5-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindole-1-carbonyl]piperidin-2-one (PubChem CID 94181117) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is (5R)-5-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindole-1-carbonyl]piperidin-2-one.

Molecular Properties

Compound Name(5R)-5-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindole-1-carbonyl]piperidin-2-one
PubChem CID94181117
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name(5R)-5-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindole-1-carbonyl]piperidin-2-one
SMILESCc1nc(-c2ccc3c(c2)CCN3C(=O)[C@@H]2CCC(=O)NC2)cs1
InChIInChI=1S/C18H19N3O2S/c1-11-20-15(10-24-11)12-2-4-16-13(8-12)6-7-21(16)18(23)14-3-5-17(22)19-9-14/h2,4,8,10,14H,3,5-7,9H2,1H3,(H,19,22)/t14-/m1/s1
InChIKeyOPWJTVRXDTUMEZ-CQSZACIVSA-N
XLogP2.53
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindole-1-carbonyl]piperidin-2-one?
The IUPAC name of (5R)-5-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindole-1-carbonyl]piperidin-2-one (CID 94181117) is (5R)-5-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindole-1-carbonyl]piperidin-2-one.
What is the SMILES notation for (5R)-5-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindole-1-carbonyl]piperidin-2-one?
The canonical SMILES for (5R)-5-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindole-1-carbonyl]piperidin-2-one is Cc1nc(-c2ccc3c(c2)CCN3C(=O)[C@@H]2CCC(=O)NC2)cs1.
What is the InChIKey of (5R)-5-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindole-1-carbonyl]piperidin-2-one?
The InChIKey is OPWJTVRXDTUMEZ-CQSZACIVSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-11-20-15(10-24-11)12-2-4-16-13(8-12)6-7-21(16)18(23)14-3-5-17(22)19-9-14/h2,4,8,10,14H,3,5-7,9H2,1H3,(H,19,22)/t14-/m1/s1.
What are the key properties of (5R)-5-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindole-1-carbonyl]piperidin-2-one?
(5R)-5-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindole-1-carbonyl]piperidin-2-one has a molecular weight of 341.44 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindole-1-carbonyl]piperidin-2-one is sourced from PubChem (CID 94181117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).