N-[(2S)-1-[(5-chloro-1H-indole-2-carbonyl)amino]-4-(dimethylamino)-4-oxobutan-2-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

C23H27ClN6O3S — CID 54586167

IUPACN-[(2S)-1-[(5-chloro-1H-indole-2-carbonyl)amino]-4-(dimethylamino)-4-oxobutan-2-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESCN1CCc2nc(C(=O)N[C@H](CNC(=O)c3cc4cc(Cl)ccc4[nH]3)CC(=O)N(C)C)sc2C1
InChIInChI=1S/C23H27ClN6O3S/c1-29(2)20(31)10-15(26-22(33)23-28-17-6-7-30(3)12-19(17)34-23)11-25-21(32)18-9-13-8-14(24)4-5-16(13)27-18/h4-5,8-9,15,27H,6-7,10-12H2,1-3H3,(H,25,32)(H,26,33)/t15-/m0/s1
InChIKeyUDLKCFIWPXJMNA-HNNXBMFYSA-N
MW503.03 g/mol
LogP2.27
Rot. Bonds7

About N-[(2S)-1-[(5-chloro-1H-indole-2-carbonyl)amino]-4-(dimethylamino)-4-oxobutan-2-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

N-[(2S)-1-[(5-chloro-1H-indole-2-carbonyl)amino]-4-(dimethylamino)-4-oxobutan-2-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (PubChem CID 54586167) has the molecular formula C23H27ClN6O3S and a molecular weight of 503.03 g/mol. Its IUPAC name is N-[(2S)-1-[(5-chloro-1H-indole-2-carbonyl)amino]-4-(dimethylamino)-4-oxobutan-2-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[(5-chloro-1H-indole-2-carbonyl)amino]-4-(dimethylamino)-4-oxobutan-2-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
PubChem CID54586167
Molecular FormulaC23H27ClN6O3S
Molecular Weight503.03 g/mol
Exact Mass502.16
IUPAC NameN-[(2S)-1-[(5-chloro-1H-indole-2-carbonyl)amino]-4-(dimethylamino)-4-oxobutan-2-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESCN1CCc2nc(C(=O)N[C@H](CNC(=O)c3cc4cc(Cl)ccc4[nH]3)CC(=O)N(C)C)sc2C1
InChIInChI=1S/C23H27ClN6O3S/c1-29(2)20(31)10-15(26-22(33)23-28-17-6-7-30(3)12-19(17)34-23)11-25-21(32)18-9-13-8-14(24)4-5-16(13)27-18/h4-5,8-9,15,27H,6-7,10-12H2,1-3H3,(H,25,32)(H,26,33)/t15-/m0/s1
InChIKeyUDLKCFIWPXJMNA-HNNXBMFYSA-N
XLogP2.27
TPSA110.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.03
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[(2S)-1-[(5-chloro-1H-indole-2-carbonyl)amino]-4-(dimethylamino)-4-oxobutan-2-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(5-chloro-1H-indole-2-carbonyl)amino]-4-(dimethylamino)-4-oxobutan-2-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The IUPAC name of N-[(2S)-1-[(5-chloro-1H-indole-2-carbonyl)amino]-4-(dimethylamino)-4-oxobutan-2-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (CID 54586167) is N-[(2S)-1-[(5-chloro-1H-indole-2-carbonyl)amino]-4-(dimethylamino)-4-oxobutan-2-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-[(5-chloro-1H-indole-2-carbonyl)amino]-4-(dimethylamino)-4-oxobutan-2-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The canonical SMILES for N-[(2S)-1-[(5-chloro-1H-indole-2-carbonyl)amino]-4-(dimethylamino)-4-oxobutan-2-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is CN1CCc2nc(C(=O)N[C@H](CNC(=O)c3cc4cc(Cl)ccc4[nH]3)CC(=O)N(C)C)sc2C1.
What is the InChIKey of N-[(2S)-1-[(5-chloro-1H-indole-2-carbonyl)amino]-4-(dimethylamino)-4-oxobutan-2-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The InChIKey is UDLKCFIWPXJMNA-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H27ClN6O3S/c1-29(2)20(31)10-15(26-22(33)23-28-17-6-7-30(3)12-19(17)34-23)11-25-21(32)18-9-13-8-14(24)4-5-16(13)27-18/h4-5,8-9,15,27H,6-7,10-12H2,1-3H3,(H,25,32)(H,26,33)/t15-/m0/s1.
What are the key properties of N-[(2S)-1-[(5-chloro-1H-indole-2-carbonyl)amino]-4-(dimethylamino)-4-oxobutan-2-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
N-[(2S)-1-[(5-chloro-1H-indole-2-carbonyl)amino]-4-(dimethylamino)-4-oxobutan-2-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide has a molecular weight of 503.03 g/mol, XLogP of 2.27, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[(5-chloro-1H-indole-2-carbonyl)amino]-4-(dimethylamino)-4-oxobutan-2-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 54586167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).