lithium;hydride;(2S)-2-[[2-(2-methylphenyl)-4-(1,3-thiazol-5-ylmethoxymethyl)benzoyl]amino]-4-methylsulfanylbutanoic acid

C24H27LiN2O4S2 — CID 173281992

IUPAClithium;hydride;(2S)-2-[[2-(2-methylphenyl)-4-(1,3-thiazol-5-ylmethoxymethyl)benzoyl]amino]-4-methylsulfanylbutanoic acid
SMILESCSCC[C@H](NC(=O)c1ccc(COCc2cncs2)cc1-c1ccccc1C)C(=O)O.[H-].[Li+]
InChIInChI=1S/C24H26N2O4S2.Li.H/c1-16-5-3-4-6-19(16)21-11-17(13-30-14-18-12-25-15-32-18)7-8-20(21)23(27)26-22(24(28)29)9-10-31-2;;/h3-8,11-12,15,22H,9-10,13-14H2,1-2H3,(H,26,27)(H,28,29);;/q;+1;-1/t22-;;/m0../s1
InChIKeyNZNIQKUZPKASBC-IKXQUJFKSA-N
MW478.57 g/mol
LogP1.89
Rot. Bonds11

About lithium;hydride;(2S)-2-[[2-(2-methylphenyl)-4-(1,3-thiazol-5-ylmethoxymethyl)benzoyl]amino]-4-methylsulfanylbutanoic acid

lithium;hydride;(2S)-2-[[2-(2-methylphenyl)-4-(1,3-thiazol-5-ylmethoxymethyl)benzoyl]amino]-4-methylsulfanylbutanoic acid (PubChem CID 173281992) has the molecular formula C24H27LiN2O4S2 and a molecular weight of 478.57 g/mol. Its IUPAC name is lithium;hydride;(2S)-2-[[2-(2-methylphenyl)-4-(1,3-thiazol-5-ylmethoxymethyl)benzoyl]amino]-4-methylsulfanylbutanoic acid.

Molecular Properties

Compound Namelithium;hydride;(2S)-2-[[2-(2-methylphenyl)-4-(1,3-thiazol-5-ylmethoxymethyl)benzoyl]amino]-4-methylsulfanylbutanoic acid
PubChem CID173281992
Molecular FormulaC24H27LiN2O4S2
Molecular Weight478.57 g/mol
Exact Mass478.16
IUPAC Namelithium;hydride;(2S)-2-[[2-(2-methylphenyl)-4-(1,3-thiazol-5-ylmethoxymethyl)benzoyl]amino]-4-methylsulfanylbutanoic acid
SMILESCSCC[C@H](NC(=O)c1ccc(COCc2cncs2)cc1-c1ccccc1C)C(=O)O.[H-].[Li+]
InChIInChI=1S/C24H26N2O4S2.Li.H/c1-16-5-3-4-6-19(16)21-11-17(13-30-14-18-12-25-15-32-18)7-8-20(21)23(27)26-22(24(28)29)9-10-31-2;;/h3-8,11-12,15,22H,9-10,13-14H2,1-2H3,(H,26,27)(H,28,29);;/q;+1;-1/t22-;;/m0../s1
InChIKeyNZNIQKUZPKASBC-IKXQUJFKSA-N
XLogP1.89
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.57
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

lithium;hydride;2-[[2-(2-methylphenyl)-4-(phenylmethoxymethyl)benzoyl]amino]-4-methylsulfanylbutanoic acid
CID 173281779
2-[[2-(2-methylphenyl)-4-(thiophen-2-ylmethoxymethyl)benzoyl]amino]-4-methylsulfanylbutanoic acid
CID 70222963
2-[[4-[(2-methoxy-1,3-thiazol-5-yl)methoxymethyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid
CID 67634954
lithium;hydride;(2S)-2-[[2-(2-methylphenyl)-4-[(3-methylphenyl)methoxymethyl]benzoyl]amino]-4-methylsulfanylbutanoic acid
CID 173282028
CID 70226529
CID 70226529
lithium;(2S)-2-[[4-[[2-(4-chlorophenyl)-1,3-thiazol-5-yl]methoxymethyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid;hydride
CID 173281494
(2S)-2-[[2-(2-methylphenyl)-4-(1,3-thiazol-5-ylmethoxycarbonylamino)benzoyl]amino]-4-methylsulfanylbutanoic acid
CID 57201954
(2S)-2-[[4-[(5-methylfuran-2-yl)methoxymethyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid
CID 59949706
lithium 2-[[4-[(4-methoxyphenyl)methoxymethyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid
CID 22014216
lithium;hydride;(2S)-2-[[2-(2-methylphenyl)-4-(2-phenylethoxymethyl)benzoyl]amino]-4-methylsulfanylbutanoic acid
CID 173281786
2-[[2-(2-methylphenyl)-4-[(3-methylphenyl)methoxymethyl]benzoyl]amino]-4-methylsulfanylbutanoic acid
CID 22014191
2-[[4-(furan-3-ylmethoxymethyl)-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid
CID 22014260

Frequently Asked Questions

What is the IUPAC name of lithium;hydride;(2S)-2-[[2-(2-methylphenyl)-4-(1,3-thiazol-5-ylmethoxymethyl)benzoyl]amino]-4-methylsulfanylbutanoic acid?
The IUPAC name of lithium;hydride;(2S)-2-[[2-(2-methylphenyl)-4-(1,3-thiazol-5-ylmethoxymethyl)benzoyl]amino]-4-methylsulfanylbutanoic acid (CID 173281992) is lithium;hydride;(2S)-2-[[2-(2-methylphenyl)-4-(1,3-thiazol-5-ylmethoxymethyl)benzoyl]amino]-4-methylsulfanylbutanoic acid.
What is the SMILES notation for lithium;hydride;(2S)-2-[[2-(2-methylphenyl)-4-(1,3-thiazol-5-ylmethoxymethyl)benzoyl]amino]-4-methylsulfanylbutanoic acid?
The canonical SMILES for lithium;hydride;(2S)-2-[[2-(2-methylphenyl)-4-(1,3-thiazol-5-ylmethoxymethyl)benzoyl]amino]-4-methylsulfanylbutanoic acid is CSCC[C@H](NC(=O)c1ccc(COCc2cncs2)cc1-c1ccccc1C)C(=O)O.[H-].[Li+].
What is the InChIKey of lithium;hydride;(2S)-2-[[2-(2-methylphenyl)-4-(1,3-thiazol-5-ylmethoxymethyl)benzoyl]amino]-4-methylsulfanylbutanoic acid?
The InChIKey is NZNIQKUZPKASBC-IKXQUJFKSA-N. The full InChI is InChI=1S/C24H26N2O4S2.Li.H/c1-16-5-3-4-6-19(16)21-11-17(13-30-14-18-12-25-15-32-18)7-8-20(21)23(27)26-22(24(28)29)9-10-31-2;;/h3-8,11-12,15,22H,9-10,13-14H2,1-2H3,(H,26,27)(H,28,29);;/q;+1;-1/t22-;;/m0../s1.
What are the key properties of lithium;hydride;(2S)-2-[[2-(2-methylphenyl)-4-(1,3-thiazol-5-ylmethoxymethyl)benzoyl]amino]-4-methylsulfanylbutanoic acid?
lithium;hydride;(2S)-2-[[2-(2-methylphenyl)-4-(1,3-thiazol-5-ylmethoxymethyl)benzoyl]amino]-4-methylsulfanylbutanoic acid has a molecular weight of 478.57 g/mol, XLogP of 1.89, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;hydride;(2S)-2-[[2-(2-methylphenyl)-4-(1,3-thiazol-5-ylmethoxymethyl)benzoyl]amino]-4-methylsulfanylbutanoic acid is sourced from PubChem (CID 173281992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).