N-[(2S)-heptan-2-yl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide

C19H26N2O2S — CID 9123769

IUPACN-[(2S)-heptan-2-yl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
SMILESCCCCC[C@H](C)NC(=O)COc1ccc(-c2nc(C)cs2)cc1
InChIInChI=1S/C19H26N2O2S/c1-4-5-6-7-14(2)20-18(22)12-23-17-10-8-16(9-11-17)19-21-15(3)13-24-19/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,22)/t14-/m0/s1
InChIKeyAQSAVPKSCKZOIC-AWEZNQCLSA-N
MW346.50 g/mol
LogP4.58
Rot. Bonds9

About N-[(2S)-heptan-2-yl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide

N-[(2S)-heptan-2-yl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide (PubChem CID 9123769) has the molecular formula C19H26N2O2S and a molecular weight of 346.50 g/mol. Its IUPAC name is N-[(2S)-heptan-2-yl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[(2S)-heptan-2-yl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
PubChem CID9123769
Molecular FormulaC19H26N2O2S
Molecular Weight346.50 g/mol
Exact Mass346.17
IUPAC NameN-[(2S)-heptan-2-yl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
SMILESCCCCC[C@H](C)NC(=O)COc1ccc(-c2nc(C)cs2)cc1
InChIInChI=1S/C19H26N2O2S/c1-4-5-6-7-14(2)20-18(22)12-23-17-10-8-16(9-11-17)19-21-15(3)13-24-19/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,22)/t14-/m0/s1
InChIKeyAQSAVPKSCKZOIC-AWEZNQCLSA-N
XLogP4.58
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-butan-2-yl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
CID 9123252
N-methyl-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
CID 9123257
methyl (2S)-4-methyl-2-[[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetyl]amino]pentanoate
CID 9123652
1-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]butan-2-one
CID 62040002
N-(4-bromophenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
CID 9123007
1-methoxy-3-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]propan-2-one
CID 107508099
4-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]butanehydrazide
CID 63570309
N-[4-(difluoromethylsulfanyl)phenyl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
CID 9123022
ethyl 2-[[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetyl]amino]benzoate
CID 9123178
methyl 2-[[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetyl]amino]benzoate
CID 9123175
N-[2-(2-fluorophenyl)ethyl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
CID 9123727
3-methyl-4-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]but-2-enoic acid
CID 77005623

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-heptan-2-yl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide?
The IUPAC name of N-[(2S)-heptan-2-yl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide (CID 9123769) is N-[(2S)-heptan-2-yl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide.
What is the SMILES notation for N-[(2S)-heptan-2-yl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide?
The canonical SMILES for N-[(2S)-heptan-2-yl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide is CCCCC[C@H](C)NC(=O)COc1ccc(-c2nc(C)cs2)cc1.
What is the InChIKey of N-[(2S)-heptan-2-yl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide?
The InChIKey is AQSAVPKSCKZOIC-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H26N2O2S/c1-4-5-6-7-14(2)20-18(22)12-23-17-10-8-16(9-11-17)19-21-15(3)13-24-19/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,22)/t14-/m0/s1.
What are the key properties of N-[(2S)-heptan-2-yl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide?
N-[(2S)-heptan-2-yl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide has a molecular weight of 346.50 g/mol, XLogP of 4.58, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-heptan-2-yl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide is sourced from PubChem (CID 9123769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).