N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4,5-dimethyl-1H-indole-2-carboxamide

C21H26N4O2S — CID 86963761

IUPACN-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4,5-dimethyl-1H-indole-2-carboxamide
SMILESCc1ccc2[nH]c(C(=O)Nc3nc(CN4CC(C)OC(C)C4)cs3)cc2c1C
InChIInChI=1S/C21H26N4O2S/c1-12-5-6-18-17(15(12)4)7-19(23-18)20(26)24-21-22-16(11-28-21)10-25-8-13(2)27-14(3)9-25/h5-7,11,13-14,23H,8-10H2,1-4H3,(H,22,24,26)
InChIKeyLZMLIFQSMACFQN-UHFFFAOYSA-N
MW398.53 g/mol
LogP4.10
Rot. Bonds4

About N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4,5-dimethyl-1H-indole-2-carboxamide

N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4,5-dimethyl-1H-indole-2-carboxamide (PubChem CID 86963761) has the molecular formula C21H26N4O2S and a molecular weight of 398.53 g/mol. Its IUPAC name is N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4,5-dimethyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4,5-dimethyl-1H-indole-2-carboxamide
PubChem CID86963761
Molecular FormulaC21H26N4O2S
Molecular Weight398.53 g/mol
Exact Mass398.18
IUPAC NameN-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4,5-dimethyl-1H-indole-2-carboxamide
SMILESCc1ccc2[nH]c(C(=O)Nc3nc(CN4CC(C)OC(C)C4)cs3)cc2c1C
InChIInChI=1S/C21H26N4O2S/c1-12-5-6-18-17(15(12)4)7-19(23-18)20(26)24-21-22-16(11-28-21)10-25-8-13(2)27-14(3)9-25/h5-7,11,13-14,23H,8-10H2,1-4H3,(H,22,24,26)
InChIKeyLZMLIFQSMACFQN-UHFFFAOYSA-N
XLogP4.10
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4,5-dimethyl-1H-indole-2-carboxamide with MolForge

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Related Compounds

N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 51321370
4-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide
CID 55507882
4-acetyl-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-1H-pyrrole-2-carboxamide
CID 24611361
N-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-2H-benzotriazole-5-carboxamide
CID 30197869
N-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-2-oxo-1H-quinoline-3-carboxamide
CID 32820136
N-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-3-methyl-4-nitrobenzamide
CID 25466368
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2,5-dimethylfuran-3-carboxamide
CID 134055791
2-chloro-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 55520784
3-(dimethylamino)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]benzamide
CID 47018230
N-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 30216768
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-(2,5-dimethylpyrrol-1-yl)thiophene-3-carboxamide
CID 112807851
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-(2-methylphenyl)acetamide
CID 51321385

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4,5-dimethyl-1H-indole-2-carboxamide?
The IUPAC name of N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4,5-dimethyl-1H-indole-2-carboxamide (CID 86963761) is N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4,5-dimethyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4,5-dimethyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4,5-dimethyl-1H-indole-2-carboxamide is Cc1ccc2[nH]c(C(=O)Nc3nc(CN4CC(C)OC(C)C4)cs3)cc2c1C.
What is the InChIKey of N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4,5-dimethyl-1H-indole-2-carboxamide?
The InChIKey is LZMLIFQSMACFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2S/c1-12-5-6-18-17(15(12)4)7-19(23-18)20(26)24-21-22-16(11-28-21)10-25-8-13(2)27-14(3)9-25/h5-7,11,13-14,23H,8-10H2,1-4H3,(H,22,24,26).
What are the key properties of N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4,5-dimethyl-1H-indole-2-carboxamide?
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4,5-dimethyl-1H-indole-2-carboxamide has a molecular weight of 398.53 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4,5-dimethyl-1H-indole-2-carboxamide is sourced from PubChem (CID 86963761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).