N-[(2S)-butan-2-yl]-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide

C21H28N2O2S — CID 93165127

IUPACN-[(2S)-butan-2-yl]-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide
SMILESCC[C@H](C)N(Cc1csc(COc2cc(C)cc(C)c2)n1)C(=O)C1CC1
InChIInChI=1S/C21H28N2O2S/c1-5-16(4)23(21(24)17-6-7-17)11-18-13-26-20(22-18)12-25-19-9-14(2)8-15(3)10-19/h8-10,13,16-17H,5-7,11-12H2,1-4H3/t16-/m0/s1
InChIKeyBPNXFTSCVRDALA-INIZCTEOSA-N
MW372.53 g/mol
LogP4.88
Rot. Bonds8

About N-[(2S)-butan-2-yl]-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide

N-[(2S)-butan-2-yl]-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide (PubChem CID 93165127) has the molecular formula C21H28N2O2S and a molecular weight of 372.53 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide
PubChem CID93165127
Molecular FormulaC21H28N2O2S
Molecular Weight372.53 g/mol
Exact Mass372.19
IUPAC NameN-[(2S)-butan-2-yl]-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide
SMILESCC[C@H](C)N(Cc1csc(COc2cc(C)cc(C)c2)n1)C(=O)C1CC1
InChIInChI=1S/C21H28N2O2S/c1-5-16(4)23(21(24)17-6-7-17)11-18-13-26-20(22-18)12-25-19-9-14(2)8-15(3)10-19/h8-10,13,16-17H,5-7,11-12H2,1-4H3/t16-/m0/s1
InChIKeyBPNXFTSCVRDALA-INIZCTEOSA-N
XLogP4.88
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.53
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-butan-2-yl]-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]acetamide
CID 93165112
N-[(2S)-butan-2-yl]-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopentanecarboxamide
CID 93165882
N-[(2R)-butan-2-yl]-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-methoxyacetamide
CID 93165138
N-butan-2-yl-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]cyclopentanecarboxamide
CID 42837469
N-[(2R)-butan-2-yl]-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopentanecarboxamide
CID 93165236
N-[(2R)-butan-2-yl]-4-chloro-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 93165132
N-cyclopropyl-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopentanecarboxamide
CID 46008283
N-[(2S)-butan-2-yl]-N-[[2-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide
CID 93165952
N-[(2R)-butan-2-yl]-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]acetamide
CID 93165865
N-[(2S)-butan-2-yl]-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]acetamide
CID 93165866
N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propan-2-ylthiophene-2-carboxamide
CID 46008241
1-[(2S)-butan-2-yl]-3-tert-butyl-1-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]urea
CID 93165992

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[(2S)-butan-2-yl]-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide (CID 93165127) is N-[(2S)-butan-2-yl]-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide is CC[C@H](C)N(Cc1csc(COc2cc(C)cc(C)c2)n1)C(=O)C1CC1.
What is the InChIKey of N-[(2S)-butan-2-yl]-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide?
The InChIKey is BPNXFTSCVRDALA-INIZCTEOSA-N. The full InChI is InChI=1S/C21H28N2O2S/c1-5-16(4)23(21(24)17-6-7-17)11-18-13-26-20(22-18)12-25-19-9-14(2)8-15(3)10-19/h8-10,13,16-17H,5-7,11-12H2,1-4H3/t16-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide?
N-[(2S)-butan-2-yl]-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide has a molecular weight of 372.53 g/mol, XLogP of 4.88, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 93165127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).