4,5-dimethoxy-N-[(2R)-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]-1H-indole-2-carboxamide

C18H20N4O4S — CID 51703531

IUPAC4,5-dimethoxy-N-[(2R)-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)N[C@H](C)C(=O)Nc3nc(C)cs3)cc2c1OC
InChIInChI=1S/C18H20N4O4S/c1-9-8-27-18(19-9)22-16(23)10(2)20-17(24)13-7-11-12(21-13)5-6-14(25-3)15(11)26-4/h5-8,10,21H,1-4H3,(H,20,24)(H,19,22,23)/t10-/m1/s1
InChIKeyWAAIEGILJGYNEX-SNVBAGLBSA-N
MW388.45 g/mol
LogP2.71
Rot. Bonds6

About 4,5-dimethoxy-N-[(2R)-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]-1H-indole-2-carboxamide

4,5-dimethoxy-N-[(2R)-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]-1H-indole-2-carboxamide (PubChem CID 51703531) has the molecular formula C18H20N4O4S and a molecular weight of 388.45 g/mol. Its IUPAC name is 4,5-dimethoxy-N-[(2R)-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4,5-dimethoxy-N-[(2R)-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]-1H-indole-2-carboxamide
PubChem CID51703531
Molecular FormulaC18H20N4O4S
Molecular Weight388.45 g/mol
Exact Mass388.12
IUPAC Name4,5-dimethoxy-N-[(2R)-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)N[C@H](C)C(=O)Nc3nc(C)cs3)cc2c1OC
InChIInChI=1S/C18H20N4O4S/c1-9-8-27-18(19-9)22-16(23)10(2)20-17(24)13-7-11-12(21-13)5-6-14(25-3)15(11)26-4/h5-8,10,21H,1-4H3,(H,20,24)(H,19,22,23)/t10-/m1/s1
InChIKeyWAAIEGILJGYNEX-SNVBAGLBSA-N
XLogP2.71
TPSA105.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4,5-dimethoxy-N-[(2R)-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]-1H-indole-2-carboxamide with MolForge

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Related Compounds

N-[(2S)-1-(1,3-benzothiazol-2-ylamino)-1-oxopropan-2-yl]-5,6,7-trimethoxy-1H-indole-2-carboxamide
CID 42580675
(2S)-2-[(4,5-dimethoxy-1H-indole-2-carbonyl)amino]-2-phenylacetic acid
CID 51703649
3-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-4-propan-2-yloxybenzamide
CID 46674292
2,3-dimethoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 2970631
(2S)-2-[(4,7-dimethoxy-1H-indole-2-carbonyl)amino]propanoic acid
CID 51342241
3-chloro-4-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 17361583
3,5-dimethoxy-N-[(2S)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxobutan-2-yl]benzamide
CID 2126173
3-methoxy-4-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 17425685
3-acetamido-4-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 110764330
N-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 29127447
5-chloro-2-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 2679160
3-methyl-N-[(2S)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxobutan-2-yl]benzamide
CID 2082289

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-N-[(2R)-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]-1H-indole-2-carboxamide?
The IUPAC name of 4,5-dimethoxy-N-[(2R)-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]-1H-indole-2-carboxamide (CID 51703531) is 4,5-dimethoxy-N-[(2R)-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 4,5-dimethoxy-N-[(2R)-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 4,5-dimethoxy-N-[(2R)-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]-1H-indole-2-carboxamide is COc1ccc2[nH]c(C(=O)N[C@H](C)C(=O)Nc3nc(C)cs3)cc2c1OC.
What is the InChIKey of 4,5-dimethoxy-N-[(2R)-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]-1H-indole-2-carboxamide?
The InChIKey is WAAIEGILJGYNEX-SNVBAGLBSA-N. The full InChI is InChI=1S/C18H20N4O4S/c1-9-8-27-18(19-9)22-16(23)10(2)20-17(24)13-7-11-12(21-13)5-6-14(25-3)15(11)26-4/h5-8,10,21H,1-4H3,(H,20,24)(H,19,22,23)/t10-/m1/s1.
What are the key properties of 4,5-dimethoxy-N-[(2R)-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]-1H-indole-2-carboxamide?
4,5-dimethoxy-N-[(2R)-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]-1H-indole-2-carboxamide has a molecular weight of 388.45 g/mol, XLogP of 2.71, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-N-[(2R)-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 51703531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).