(2R,4S,5S)-5-amino-4-hydroxy-2-(3-methylbutyl)-6-(1,3-thiazol-4-yl)hexanamide

C14H25N3O2S — CID 68899703

IUPAC(2R,4S,5S)-5-amino-4-hydroxy-2-(3-methylbutyl)-6-(1,3-thiazol-4-yl)hexanamide
SMILESCC(C)CC[C@H](C[C@H](O)[C@@H](N)Cc1cscn1)C(N)=O
InChIInChI=1S/C14H25N3O2S/c1-9(2)3-4-10(14(16)19)5-13(18)12(15)6-11-7-20-8-17-11/h7-10,12-13,18H,3-6,15H2,1-2H3,(H2,16,19)/t10-,12+,13+/m1/s1
InChIKeyFLYCSDPXGLIORL-WXHSDQCUSA-N
MW299.44 g/mol
LogP1.30
Rot. Bonds9

About (2R,4S,5S)-5-amino-4-hydroxy-2-(3-methylbutyl)-6-(1,3-thiazol-4-yl)hexanamide

(2R,4S,5S)-5-amino-4-hydroxy-2-(3-methylbutyl)-6-(1,3-thiazol-4-yl)hexanamide (PubChem CID 68899703) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is (2R,4S,5S)-5-amino-4-hydroxy-2-(3-methylbutyl)-6-(1,3-thiazol-4-yl)hexanamide.

Molecular Properties

Compound Name(2R,4S,5S)-5-amino-4-hydroxy-2-(3-methylbutyl)-6-(1,3-thiazol-4-yl)hexanamide
PubChem CID68899703
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Name(2R,4S,5S)-5-amino-4-hydroxy-2-(3-methylbutyl)-6-(1,3-thiazol-4-yl)hexanamide
SMILESCC(C)CC[C@H](C[C@H](O)[C@@H](N)Cc1cscn1)C(N)=O
InChIInChI=1S/C14H25N3O2S/c1-9(2)3-4-10(14(16)19)5-13(18)12(15)6-11-7-20-8-17-11/h7-10,12-13,18H,3-6,15H2,1-2H3,(H2,16,19)/t10-,12+,13+/m1/s1
InChIKeyFLYCSDPXGLIORL-WXHSDQCUSA-N
XLogP1.30
TPSA102.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-2-(3,3-difluorocyclohexyl)-4-hydroxy-6-(1,3-thiazol-4-yl)hexanamide
CID 162568071
2-fluoro-5-[2-hydroxy-4-(1,3-thiazol-4-yl)butyl]-2-methylhexanediamide
CID 22452517
(2S)-2-methyl-3-(1,3-thiazol-4-yl)propane-1,1-diol
CID 163525054
2-amino-4,4-dimethyl-1-(1,3-thiazol-4-yl)pentan-3-one
CID 155459923
4-amino-2-(1,3-thiazol-4-ylmethyl)butanoic acid
CID 104681033
methyl (2S)-2-amino-3-(1,3-thiazol-4-yl)propanoate;dihydrochloride
CID 70073965
(2R)-3-methyl-2-(1,3-thiazol-4-ylmethyl)butanoic acid
CID 69472054
2-methyl-1-(1,3-thiazol-4-yl)pentan-3-one
CID 76657349
3,3-dimethyl-2-(1,3-thiazol-4-ylmethyl)butan-1-amine
CID 83139092
[1-amino-2-(1,3-thiazol-4-yl)ethyl] formate
CID 174645355
2-amino-3-hydroxypropanoic acid;2-amino-3-(1,3-thiazol-4-yl)propanoic acid
CID 68809495
(2R)-2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 78974670

Frequently Asked Questions

What is the IUPAC name of (2R,4S,5S)-5-amino-4-hydroxy-2-(3-methylbutyl)-6-(1,3-thiazol-4-yl)hexanamide?
The IUPAC name of (2R,4S,5S)-5-amino-4-hydroxy-2-(3-methylbutyl)-6-(1,3-thiazol-4-yl)hexanamide (CID 68899703) is (2R,4S,5S)-5-amino-4-hydroxy-2-(3-methylbutyl)-6-(1,3-thiazol-4-yl)hexanamide.
What is the SMILES notation for (2R,4S,5S)-5-amino-4-hydroxy-2-(3-methylbutyl)-6-(1,3-thiazol-4-yl)hexanamide?
The canonical SMILES for (2R,4S,5S)-5-amino-4-hydroxy-2-(3-methylbutyl)-6-(1,3-thiazol-4-yl)hexanamide is CC(C)CC[C@H](C[C@H](O)[C@@H](N)Cc1cscn1)C(N)=O.
What is the InChIKey of (2R,4S,5S)-5-amino-4-hydroxy-2-(3-methylbutyl)-6-(1,3-thiazol-4-yl)hexanamide?
The InChIKey is FLYCSDPXGLIORL-WXHSDQCUSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-9(2)3-4-10(14(16)19)5-13(18)12(15)6-11-7-20-8-17-11/h7-10,12-13,18H,3-6,15H2,1-2H3,(H2,16,19)/t10-,12+,13+/m1/s1.
What are the key properties of (2R,4S,5S)-5-amino-4-hydroxy-2-(3-methylbutyl)-6-(1,3-thiazol-4-yl)hexanamide?
(2R,4S,5S)-5-amino-4-hydroxy-2-(3-methylbutyl)-6-(1,3-thiazol-4-yl)hexanamide has a molecular weight of 299.44 g/mol, XLogP of 1.30, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5S)-5-amino-4-hydroxy-2-(3-methylbutyl)-6-(1,3-thiazol-4-yl)hexanamide is sourced from PubChem (CID 68899703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).