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

C19H21ClN4O3S — CID 57410175

IUPAC4-[2-[(2R)-4-chloro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
SMILESC[C@@H]1Cc2c(Cl)cccc2N1C(=O)Cc1nc(N2CCOCC2)sc1C(N)=O
InChIInChI=1S/C19H21ClN4O3S/c1-11-9-12-13(20)3-2-4-15(12)24(11)16(25)10-14-17(18(21)26)28-19(22-14)23-5-7-27-8-6-23/h2-4,11H,5-10H2,1H3,(H2,21,26)/t11-/m1/s1
InChIKeyTVZPBIBWLNLUKK-LLVKDONJSA-N
MW420.92 g/mol
LogP2.25
Rot. Bonds4

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

4-[2-[(2R)-4-chloro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide (PubChem CID 57410175) has the molecular formula C19H21ClN4O3S and a molecular weight of 420.92 g/mol. Its IUPAC name is 4-[2-[(2R)-4-chloro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-[2-[(2R)-4-chloro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
PubChem CID57410175
Molecular FormulaC19H21ClN4O3S
Molecular Weight420.92 g/mol
Exact Mass420.10
IUPAC Name4-[2-[(2R)-4-chloro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
SMILESC[C@@H]1Cc2c(Cl)cccc2N1C(=O)Cc1nc(N2CCOCC2)sc1C(N)=O
InChIInChI=1S/C19H21ClN4O3S/c1-11-9-12-13(20)3-2-4-15(12)24(11)16(25)10-14-17(18(21)26)28-19(22-14)23-5-7-27-8-6-23/h2-4,11H,5-10H2,1H3,(H2,21,26)/t11-/m1/s1
InChIKeyTVZPBIBWLNLUKK-LLVKDONJSA-N
XLogP2.25
TPSA88.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.92
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2R)-4-chloro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-[2-[(2R)-4-chloro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide (CID 57410175) is 4-[2-[(2R)-4-chloro-2-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-[(2R)-4-chloro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-[2-[(2R)-4-chloro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide is C[C@@H]1Cc2c(Cl)cccc2N1C(=O)Cc1nc(N2CCOCC2)sc1C(N)=O.
What is the InChIKey of 4-[2-[(2R)-4-chloro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide?
The InChIKey is TVZPBIBWLNLUKK-LLVKDONJSA-N. The full InChI is InChI=1S/C19H21ClN4O3S/c1-11-9-12-13(20)3-2-4-15(12)24(11)16(25)10-14-17(18(21)26)28-19(22-14)23-5-7-27-8-6-23/h2-4,11H,5-10H2,1H3,(H2,21,26)/t11-/m1/s1.
What are the key properties of 4-[2-[(2R)-4-chloro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide?
4-[2-[(2R)-4-chloro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide has a molecular weight of 420.92 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2R)-4-chloro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 57410175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).