4-[2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide

C19H22N4O3S — CID 57411366

IUPAC4-[2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
SMILESCC1CN(C(=O)Cc2nc(N3CCOCC3)sc2C(N)=O)c2ccccc21
InChIInChI=1S/C19H22N4O3S/c1-12-11-23(15-5-3-2-4-13(12)15)16(24)10-14-17(18(20)25)27-19(21-14)22-6-8-26-9-7-22/h2-5,12H,6-11H2,1H3,(H2,20,25)
InChIKeyVRFSADMGIMNNAF-UHFFFAOYSA-N
MW386.48 g/mol
LogP1.77
Rot. Bonds4

About 4-[2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide

4-[2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide (PubChem CID 57411366) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is 4-[2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-[2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
PubChem CID57411366
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC Name4-[2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
SMILESCC1CN(C(=O)Cc2nc(N3CCOCC3)sc2C(N)=O)c2ccccc21
InChIInChI=1S/C19H22N4O3S/c1-12-11-23(15-5-3-2-4-13(12)15)16(24)10-14-17(18(20)25)27-19(21-14)22-6-8-26-9-7-22/h2-5,12H,6-11H2,1H3,(H2,20,25)
InChIKeyVRFSADMGIMNNAF-UHFFFAOYSA-N
XLogP1.77
TPSA88.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-[2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide (CID 57411366) is 4-[2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-[2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-[2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide is CC1CN(C(=O)Cc2nc(N3CCOCC3)sc2C(N)=O)c2ccccc21.
What is the InChIKey of 4-[2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide?
The InChIKey is VRFSADMGIMNNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-12-11-23(15-5-3-2-4-13(12)15)16(24)10-14-17(18(20)25)27-19(21-14)22-6-8-26-9-7-22/h2-5,12H,6-11H2,1H3,(H2,20,25).
What are the key properties of 4-[2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide?
4-[2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide has a molecular weight of 386.48 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 57411366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).