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

C27H35N5O4S — CID 25134149

IUPAC3-[[(3S)-4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-N-(2-methoxyethyl)-N,1-dimethylindole-5-carboxamide
SMILESCOCCN(C)C(=O)c1ccc2c(c1)c(C[C@H]1COCCN1c1nc3c(s1)C(=O)NC(C)(C)C3)cn2C
InChIInChI=1S/C27H35N5O4S/c1-27(2)14-21-23(24(33)29-27)37-26(28-21)32-9-11-36-16-19(32)12-18-15-31(4)22-7-6-17(13-20(18)22)25(34)30(3)8-10-35-5/h6-7,13,15,19H,8-12,14,16H2,1-5H3,(H,29,33)/t19-/m0/s1
InChIKeyIFSNARYYAQCALM-IBGZPJMESA-N
MW525.68 g/mol
LogP2.87
Rot. Bonds7

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

3-[[(3S)-4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-N-(2-methoxyethyl)-N,1-dimethylindole-5-carboxamide (PubChem CID 25134149) has the molecular formula C27H35N5O4S and a molecular weight of 525.68 g/mol. Its IUPAC name is 3-[[(3S)-4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-N-(2-methoxyethyl)-N,1-dimethylindole-5-carboxamide.

Molecular Properties

Compound Name3-[[(3S)-4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-N-(2-methoxyethyl)-N,1-dimethylindole-5-carboxamide
PubChem CID25134149
Molecular FormulaC27H35N5O4S
Molecular Weight525.68 g/mol
Exact Mass525.24
IUPAC Name3-[[(3S)-4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-N-(2-methoxyethyl)-N,1-dimethylindole-5-carboxamide
SMILESCOCCN(C)C(=O)c1ccc2c(c1)c(C[C@H]1COCCN1c1nc3c(s1)C(=O)NC(C)(C)C3)cn2C
InChIInChI=1S/C27H35N5O4S/c1-27(2)14-21-23(24(33)29-27)37-26(28-21)32-9-11-36-16-19(32)12-18-15-31(4)22-7-6-17(13-20(18)22)25(34)30(3)8-10-35-5/h6-7,13,15,19H,8-12,14,16H2,1-5H3,(H,29,33)/t19-/m0/s1
InChIKeyIFSNARYYAQCALM-IBGZPJMESA-N
XLogP2.87
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.68
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[[(3S)-4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-N-(2-methoxyethyl)-N,1-dimethylindole-5-carboxamide?
The IUPAC name of 3-[[(3S)-4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-N-(2-methoxyethyl)-N,1-dimethylindole-5-carboxamide (CID 25134149) is 3-[[(3S)-4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-N-(2-methoxyethyl)-N,1-dimethylindole-5-carboxamide.
What is the SMILES notation for 3-[[(3S)-4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-N-(2-methoxyethyl)-N,1-dimethylindole-5-carboxamide?
The canonical SMILES for 3-[[(3S)-4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-N-(2-methoxyethyl)-N,1-dimethylindole-5-carboxamide is COCCN(C)C(=O)c1ccc2c(c1)c(C[C@H]1COCCN1c1nc3c(s1)C(=O)NC(C)(C)C3)cn2C.
What is the InChIKey of 3-[[(3S)-4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-N-(2-methoxyethyl)-N,1-dimethylindole-5-carboxamide?
The InChIKey is IFSNARYYAQCALM-IBGZPJMESA-N. The full InChI is InChI=1S/C27H35N5O4S/c1-27(2)14-21-23(24(33)29-27)37-26(28-21)32-9-11-36-16-19(32)12-18-15-31(4)22-7-6-17(13-20(18)22)25(34)30(3)8-10-35-5/h6-7,13,15,19H,8-12,14,16H2,1-5H3,(H,29,33)/t19-/m0/s1.
What are the key properties of 3-[[(3S)-4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-N-(2-methoxyethyl)-N,1-dimethylindole-5-carboxamide?
3-[[(3S)-4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-N-(2-methoxyethyl)-N,1-dimethylindole-5-carboxamide has a molecular weight of 525.68 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3S)-4-(6,6-dimethyl-4-oxo-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholin-3-yl]methyl]-N-(2-methoxyethyl)-N,1-dimethylindole-5-carboxamide is sourced from PubChem (CID 25134149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).