N-[(2S)-butan-2-yl]-2-(phenoxymethyl)-1,3-thiazole-4-carboxamide

C15H18N2O2S — CID 93158707

IUPACN-[(2S)-butan-2-yl]-2-(phenoxymethyl)-1,3-thiazole-4-carboxamide
SMILESCC[C@H](C)NC(=O)c1csc(COc2ccccc2)n1
InChIInChI=1S/C15H18N2O2S/c1-3-11(2)16-15(18)13-10-20-14(17-13)9-19-12-7-5-4-6-8-12/h4-8,10-11H,3,9H2,1-2H3,(H,16,18)/t11-/m0/s1
InChIKeyFPNNZYCFEQNVKC-NSHDSACASA-N
MW290.39 g/mol
LogP3.25
Rot. Bonds6

About N-[(2S)-butan-2-yl]-2-(phenoxymethyl)-1,3-thiazole-4-carboxamide

N-[(2S)-butan-2-yl]-2-(phenoxymethyl)-1,3-thiazole-4-carboxamide (PubChem CID 93158707) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-2-(phenoxymethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-2-(phenoxymethyl)-1,3-thiazole-4-carboxamide
PubChem CID93158707
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC NameN-[(2S)-butan-2-yl]-2-(phenoxymethyl)-1,3-thiazole-4-carboxamide
SMILESCC[C@H](C)NC(=O)c1csc(COc2ccccc2)n1
InChIInChI=1S/C15H18N2O2S/c1-3-11(2)16-15(18)13-10-20-14(17-13)9-19-12-7-5-4-6-8-12/h4-8,10-11H,3,9H2,1-2H3,(H,16,18)/t11-/m0/s1
InChIKeyFPNNZYCFEQNVKC-NSHDSACASA-N
XLogP3.25
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
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-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide
CID 51662756
N-butan-2-yl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide
CID 121094276
2-[(4-fluorophenoxy)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 24712831
1-[2-(phenoxymethyl)-1,3-thiazol-4-yl]ethanone
CID 2744803
N-[(2R)-butan-2-yl]-2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 93158654
N-[(2S)-butan-2-yl]-2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 93158655
2-[(4-benzylpiperazin-1-yl)methyl]-N-butan-2-yl-1,3-thiazole-4-carboxamide
CID 46056114
2-[(4-nitrophenoxy)methyl]-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide
CID 46003414

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-2-(phenoxymethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(2S)-butan-2-yl]-2-(phenoxymethyl)-1,3-thiazole-4-carboxamide (CID 93158707) is N-[(2S)-butan-2-yl]-2-(phenoxymethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-2-(phenoxymethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-2-(phenoxymethyl)-1,3-thiazole-4-carboxamide is CC[C@H](C)NC(=O)c1csc(COc2ccccc2)n1.
What is the InChIKey of N-[(2S)-butan-2-yl]-2-(phenoxymethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is FPNNZYCFEQNVKC-NSHDSACASA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-3-11(2)16-15(18)13-10-20-14(17-13)9-19-12-7-5-4-6-8-12/h4-8,10-11H,3,9H2,1-2H3,(H,16,18)/t11-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-2-(phenoxymethyl)-1,3-thiazole-4-carboxamide?
N-[(2S)-butan-2-yl]-2-(phenoxymethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-2-(phenoxymethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 93158707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).