N-[4-(2-hydroxyethyl)phenyl]-4-(2-methyl-1,3-thiazol-4-yl)butanamide

C16H20N2O2S — CID 111837676

IUPACN-[4-(2-hydroxyethyl)phenyl]-4-(2-methyl-1,3-thiazol-4-yl)butanamide
SMILESCc1nc(CCCC(=O)Nc2ccc(CCO)cc2)cs1
InChIInChI=1S/C16H20N2O2S/c1-12-17-15(11-21-12)3-2-4-16(20)18-14-7-5-13(6-8-14)9-10-19/h5-8,11,19H,2-4,9-10H2,1H3,(H,18,20)
InChIKeyJGZOETOVEYECJC-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.95
Rot. Bonds7

About N-[4-(2-hydroxyethyl)phenyl]-4-(2-methyl-1,3-thiazol-4-yl)butanamide

N-[4-(2-hydroxyethyl)phenyl]-4-(2-methyl-1,3-thiazol-4-yl)butanamide (PubChem CID 111837676) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is N-[4-(2-hydroxyethyl)phenyl]-4-(2-methyl-1,3-thiazol-4-yl)butanamide.

Molecular Properties

Compound NameN-[4-(2-hydroxyethyl)phenyl]-4-(2-methyl-1,3-thiazol-4-yl)butanamide
PubChem CID111837676
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC NameN-[4-(2-hydroxyethyl)phenyl]-4-(2-methyl-1,3-thiazol-4-yl)butanamide
SMILESCc1nc(CCCC(=O)Nc2ccc(CCO)cc2)cs1
InChIInChI=1S/C16H20N2O2S/c1-12-17-15(11-21-12)3-2-4-16(20)18-14-7-5-13(6-8-14)9-10-19/h5-8,11,19H,2-4,9-10H2,1H3,(H,18,20)
InChIKeyJGZOETOVEYECJC-UHFFFAOYSA-N
XLogP2.95
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[4-(2-methyl-1,3-thiazol-4-yl)butanoylamino]phenyl]propanoic acid
CID 120528347
2-[3-[4-(2-methyl-1,3-thiazol-4-yl)butanoylamino]phenyl]acetic acid
CID 119351570
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-phenylbutanamide
CID 2978695
(2R)-2-[4-(2-methyl-1,3-thiazol-4-yl)butanoylamino]propanoic acid
CID 119369704
N-(3,4-dimethoxyphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide
CID 110332807
N-(4-bromophenyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]acetamide
CID 106045402
N-(4-aminophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 110483632
3-[4-(2-methyl-1,3-thiazol-4-yl)butanoylamino]butanoic acid
CID 119347689
1-[4-(2-methyl-1,3-thiazol-4-yl)butanoylamino]cyclopropane-1-carboxylic acid
CID 120530435
N-(4-chlorophenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide
CID 16909032
3-(2-methyl-1,3-thiazol-4-yl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]propanamide
CID 167803382
2-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol
CID 58112081

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxyethyl)phenyl]-4-(2-methyl-1,3-thiazol-4-yl)butanamide?
The IUPAC name of N-[4-(2-hydroxyethyl)phenyl]-4-(2-methyl-1,3-thiazol-4-yl)butanamide (CID 111837676) is N-[4-(2-hydroxyethyl)phenyl]-4-(2-methyl-1,3-thiazol-4-yl)butanamide.
What is the SMILES notation for N-[4-(2-hydroxyethyl)phenyl]-4-(2-methyl-1,3-thiazol-4-yl)butanamide?
The canonical SMILES for N-[4-(2-hydroxyethyl)phenyl]-4-(2-methyl-1,3-thiazol-4-yl)butanamide is Cc1nc(CCCC(=O)Nc2ccc(CCO)cc2)cs1.
What is the InChIKey of N-[4-(2-hydroxyethyl)phenyl]-4-(2-methyl-1,3-thiazol-4-yl)butanamide?
The InChIKey is JGZOETOVEYECJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-12-17-15(11-21-12)3-2-4-16(20)18-14-7-5-13(6-8-14)9-10-19/h5-8,11,19H,2-4,9-10H2,1H3,(H,18,20).
What are the key properties of N-[4-(2-hydroxyethyl)phenyl]-4-(2-methyl-1,3-thiazol-4-yl)butanamide?
N-[4-(2-hydroxyethyl)phenyl]-4-(2-methyl-1,3-thiazol-4-yl)butanamide has a molecular weight of 304.42 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxyethyl)phenyl]-4-(2-methyl-1,3-thiazol-4-yl)butanamide is sourced from PubChem (CID 111837676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).