N-[(2R,3S)-2-benzyl-3-hydroxy-2-methylbutyl]-1,3-thiazole-4-carboxamide

C16H20N2O2S — CID 99835171

IUPACN-[(2R,3S)-2-benzyl-3-hydroxy-2-methylbutyl]-1,3-thiazole-4-carboxamide
SMILESC[C@H](O)[C@@](C)(CNC(=O)c1cscn1)Cc1ccccc1
InChIInChI=1S/C16H20N2O2S/c1-12(19)16(2,8-13-6-4-3-5-7-13)10-17-15(20)14-9-21-11-18-14/h3-7,9,11-12,19H,8,10H2,1-2H3,(H,17,20)/t12-,16+/m0/s1
InChIKeyLUXUXXBFDBMFBN-BLLLJJGKSA-N
MW304.42 g/mol
LogP2.50
Rot. Bonds6

About N-[(2R,3S)-2-benzyl-3-hydroxy-2-methylbutyl]-1,3-thiazole-4-carboxamide

N-[(2R,3S)-2-benzyl-3-hydroxy-2-methylbutyl]-1,3-thiazole-4-carboxamide (PubChem CID 99835171) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is N-[(2R,3S)-2-benzyl-3-hydroxy-2-methylbutyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2R,3S)-2-benzyl-3-hydroxy-2-methylbutyl]-1,3-thiazole-4-carboxamide
PubChem CID99835171
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC NameN-[(2R,3S)-2-benzyl-3-hydroxy-2-methylbutyl]-1,3-thiazole-4-carboxamide
SMILESC[C@H](O)[C@@](C)(CNC(=O)c1cscn1)Cc1ccccc1
InChIInChI=1S/C16H20N2O2S/c1-12(19)16(2,8-13-6-4-3-5-7-13)10-17-15(20)14-9-21-11-18-14/h3-7,9,11-12,19H,8,10H2,1-2H3,(H,17,20)/t12-,16+/m0/s1
InChIKeyLUXUXXBFDBMFBN-BLLLJJGKSA-N
XLogP2.50
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyl-2-phenylpropyl)-1,3-thiazole-4-carboxamide
CID 62045664
N-(2-benzyl-3-hydroxy-2-methylbutyl)furan-3-carboxamide
CID 102562916
N-[(2S,3S)-2-benzyl-3-hydroxy-2-methylbutyl]furan-3-carboxamide
CID 99795548
N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide
CID 111422585
N-[(4-tert-butylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 110471823
N-(2-phenoxyethyl)-1,3-thiazole-4-carboxamide
CID 63049091
N-(4-hydroxy-4-phenylbutan-2-yl)-1,3-thiazole-4-carboxamide
CID 71852991
N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 111422693
3-methyl-4-(1,3-thiazole-4-carbonylamino)butanoic acid
CID 84587793
N-[2-methyl-2-(1,3-thiazole-4-carbonylamino)pentyl]-1,3-thiazole-4-carboxamide
CID 75422005
N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide
CID 111452353
methyl 3-phenyl-2-(1,3-thiazole-4-carbonylamino)propanoate
CID 63050089

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-2-benzyl-3-hydroxy-2-methylbutyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(2R,3S)-2-benzyl-3-hydroxy-2-methylbutyl]-1,3-thiazole-4-carboxamide (CID 99835171) is N-[(2R,3S)-2-benzyl-3-hydroxy-2-methylbutyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(2R,3S)-2-benzyl-3-hydroxy-2-methylbutyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(2R,3S)-2-benzyl-3-hydroxy-2-methylbutyl]-1,3-thiazole-4-carboxamide is C[C@H](O)[C@@](C)(CNC(=O)c1cscn1)Cc1ccccc1.
What is the InChIKey of N-[(2R,3S)-2-benzyl-3-hydroxy-2-methylbutyl]-1,3-thiazole-4-carboxamide?
The InChIKey is LUXUXXBFDBMFBN-BLLLJJGKSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-12(19)16(2,8-13-6-4-3-5-7-13)10-17-15(20)14-9-21-11-18-14/h3-7,9,11-12,19H,8,10H2,1-2H3,(H,17,20)/t12-,16+/m0/s1.
What are the key properties of N-[(2R,3S)-2-benzyl-3-hydroxy-2-methylbutyl]-1,3-thiazole-4-carboxamide?
N-[(2R,3S)-2-benzyl-3-hydroxy-2-methylbutyl]-1,3-thiazole-4-carboxamide has a molecular weight of 304.42 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-2-benzyl-3-hydroxy-2-methylbutyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 99835171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).