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,N,1-trimethylindole-5-carboxamide

C25H31N5O3S — CID 25134159

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,N,1-trimethylindole-5-carboxamide
SMILESCN(C)C(=O)c1ccc2c(c1)c(C[C@H]1COCCN1c1nc3c(s1)C(=O)NC(C)(C)C3)cn2C
InChIInChI=1S/C25H31N5O3S/c1-25(2)12-19-21(22(31)27-25)34-24(26-19)30-8-9-33-14-17(30)10-16-13-29(5)20-7-6-15(11-18(16)20)23(32)28(3)4/h6-7,11,13,17H,8-10,12,14H2,1-5H3,(H,27,31)/t17-/m0/s1
InChIKeyJVSGBNZVDWHFDO-KRWDZBQOSA-N
MW481.62 g/mol
LogP2.85
Rot. Bonds4

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,N,1-trimethylindole-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,N,1-trimethylindole-5-carboxamide (PubChem CID 25134159) has the molecular formula C25H31N5O3S and a molecular weight of 481.62 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,N,1-trimethylindole-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,N,1-trimethylindole-5-carboxamide
PubChem CID25134159
Molecular FormulaC25H31N5O3S
Molecular Weight481.62 g/mol
Exact Mass481.21
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,N,1-trimethylindole-5-carboxamide
SMILESCN(C)C(=O)c1ccc2c(c1)c(C[C@H]1COCCN1c1nc3c(s1)C(=O)NC(C)(C)C3)cn2C
InChIInChI=1S/C25H31N5O3S/c1-25(2)12-19-21(22(31)27-25)34-24(26-19)30-8-9-33-14-17(30)10-16-13-29(5)20-7-6-15(11-18(16)20)23(32)28(3)4/h6-7,11,13,17H,8-10,12,14H2,1-5H3,(H,27,31)/t17-/m0/s1
InChIKeyJVSGBNZVDWHFDO-KRWDZBQOSA-N
XLogP2.85
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.62
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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,N,1-trimethylindole-5-carboxamide with MolForge

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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,N,1-trimethylindole-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,N,1-trimethylindole-5-carboxamide (CID 25134159) 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,N,1-trimethylindole-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,N,1-trimethylindole-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,N,1-trimethylindole-5-carboxamide is CN(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,N,1-trimethylindole-5-carboxamide?
The InChIKey is JVSGBNZVDWHFDO-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H31N5O3S/c1-25(2)12-19-21(22(31)27-25)34-24(26-19)30-8-9-33-14-17(30)10-16-13-29(5)20-7-6-15(11-18(16)20)23(32)28(3)4/h6-7,11,13,17H,8-10,12,14H2,1-5H3,(H,27,31)/t17-/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,N,1-trimethylindole-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,N,1-trimethylindole-5-carboxamide has a molecular weight of 481.62 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 7 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,N,1-trimethylindole-5-carboxamide is sourced from PubChem (CID 25134159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).