N-[[3-[[(3S)-4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-1H-indol-5-yl]methyl]acetamide

C24H29N5O3S — CID 24855888

IUPACN-[[3-[[(3S)-4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-1H-indol-5-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc2[nH]cc(C[C@H]3COCCN3c3nc4c(s3)C(=O)NC(C)(C)C4)c2c1
InChIInChI=1S/C24H29N5O3S/c1-14(30)25-11-15-4-5-19-18(8-15)16(12-26-19)9-17-13-32-7-6-29(17)23-27-20-10-24(2,3)28-22(31)21(20)33-23/h4-5,8,12,17,26H,6-7,9-11,13H2,1-3H3,(H,25,30)(H,28,31)/t17-/m0/s1
InChIKeyOCGBLDZLUZWOLT-KRWDZBQOSA-N
MW467.60 g/mol
LogP2.77
Rot. Bonds5

About N-[[3-[[(3S)-4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-1H-indol-5-yl]methyl]acetamide

N-[[3-[[(3S)-4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-1H-indol-5-yl]methyl]acetamide (PubChem CID 24855888) has the molecular formula C24H29N5O3S and a molecular weight of 467.60 g/mol. Its IUPAC name is N-[[3-[[(3S)-4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-1H-indol-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[[(3S)-4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-1H-indol-5-yl]methyl]acetamide
PubChem CID24855888
Molecular FormulaC24H29N5O3S
Molecular Weight467.60 g/mol
Exact Mass467.20
IUPAC NameN-[[3-[[(3S)-4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-1H-indol-5-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc2[nH]cc(C[C@H]3COCCN3c3nc4c(s3)C(=O)NC(C)(C)C4)c2c1
InChIInChI=1S/C24H29N5O3S/c1-14(30)25-11-15-4-5-19-18(8-15)16(12-26-19)9-17-13-32-7-6-29(17)23-27-20-10-24(2,3)28-22(31)21(20)33-23/h4-5,8,12,17,26H,6-7,9-11,13H2,1-3H3,(H,25,30)(H,28,31)/t17-/m0/s1
InChIKeyOCGBLDZLUZWOLT-KRWDZBQOSA-N
XLogP2.77
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.60
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[[3-[[(3S)-4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-1H-indol-5-yl]methyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[[(3S)-4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-1H-indol-5-yl]methyl]acetamide?
The IUPAC name of N-[[3-[[(3S)-4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-1H-indol-5-yl]methyl]acetamide (CID 24855888) is N-[[3-[[(3S)-4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-1H-indol-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-[[(3S)-4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-1H-indol-5-yl]methyl]acetamide?
The canonical SMILES for N-[[3-[[(3S)-4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-1H-indol-5-yl]methyl]acetamide is CC(=O)NCc1ccc2[nH]cc(C[C@H]3COCCN3c3nc4c(s3)C(=O)NC(C)(C)C4)c2c1.
What is the InChIKey of N-[[3-[[(3S)-4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-1H-indol-5-yl]methyl]acetamide?
The InChIKey is OCGBLDZLUZWOLT-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H29N5O3S/c1-14(30)25-11-15-4-5-19-18(8-15)16(12-26-19)9-17-13-32-7-6-29(17)23-27-20-10-24(2,3)28-22(31)21(20)33-23/h4-5,8,12,17,26H,6-7,9-11,13H2,1-3H3,(H,25,30)(H,28,31)/t17-/m0/s1.
What are the key properties of N-[[3-[[(3S)-4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-1H-indol-5-yl]methyl]acetamide?
N-[[3-[[(3S)-4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-1H-indol-5-yl]methyl]acetamide has a molecular weight of 467.60 g/mol, XLogP of 2.77, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[(3S)-4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-1H-indol-5-yl]methyl]acetamide is sourced from PubChem (CID 24855888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).