N-[(2R)-butan-2-yl]-2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazole-4-carboxamide

C18H24N2O2S — CID 93158654

IUPACN-[(2R)-butan-2-yl]-2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazole-4-carboxamide
SMILESCC[C@@H](C)NC(=O)c1csc(COc2cc(C)cc(C)c2C)n1
InChIInChI=1S/C18H24N2O2S/c1-6-13(4)19-18(21)15-10-23-17(20-15)9-22-16-8-11(2)7-12(3)14(16)5/h7-8,10,13H,6,9H2,1-5H3,(H,19,21)/t13-/m1/s1
InChIKeyNMXKCOQJNKXVDN-CYBMUJFWSA-N
MW332.47 g/mol
LogP4.18
Rot. Bonds6

About N-[(2R)-butan-2-yl]-2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazole-4-carboxamide

N-[(2R)-butan-2-yl]-2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 93158654) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazole-4-carboxamide
PubChem CID93158654
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC NameN-[(2R)-butan-2-yl]-2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazole-4-carboxamide
SMILESCC[C@@H](C)NC(=O)c1csc(COc2cc(C)cc(C)c2C)n1
InChIInChI=1S/C18H24N2O2S/c1-6-13(4)19-18(21)15-10-23-17(20-15)9-22-16-8-11(2)7-12(3)14(16)5/h7-8,10,13H,6,9H2,1-5H3,(H,19,21)/t13-/m1/s1
InChIKeyNMXKCOQJNKXVDN-CYBMUJFWSA-N
XLogP4.18
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-butan-2-yl]-2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 93158655
N-butan-2-yl-2-[(2-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 24712817
N-butan-2-yl-2-[(2-chlorophenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 46003169
N-[(2S)-butan-2-yl]-2-(phenoxymethyl)-1,3-thiazole-4-carboxamide
CID 93158707
N-[(2S)-butan-2-yl]-2-[(4-chlorophenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 93158607
N-[(2S)-butan-2-yl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 93158727
2-[(2,3-dimethylphenoxy)methyl]-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide
CID 46003366
2-(2-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide
CID 66374744
2-(2-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide;hydrochloride
CID 120615972
N-[(2R)-butan-2-yl]-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopentanecarboxamide
CID 93165236
N,3-dimethyl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]butanamide
CID 46008647
2-(1-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide
CID 66374745

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(2R)-butan-2-yl]-2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazole-4-carboxamide (CID 93158654) is N-[(2R)-butan-2-yl]-2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazole-4-carboxamide is CC[C@@H](C)NC(=O)c1csc(COc2cc(C)cc(C)c2C)n1.
What is the InChIKey of N-[(2R)-butan-2-yl]-2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is NMXKCOQJNKXVDN-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-6-13(4)19-18(21)15-10-23-17(20-15)9-22-16-8-11(2)7-12(3)14(16)5/h7-8,10,13H,6,9H2,1-5H3,(H,19,21)/t13-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazole-4-carboxamide?
N-[(2R)-butan-2-yl]-2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 332.47 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 93158654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).