N-[4-[5-(4-methylphenyl)thiophen-2-yl]-1,3-thiazol-2-yl]acetamide

C16H14N2OS2 — CID 35271808

IUPACN-[4-[5-(4-methylphenyl)thiophen-2-yl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(-c2ccc(-c3ccc(C)cc3)s2)cs1
InChIInChI=1S/C16H14N2OS2/c1-10-3-5-12(6-4-10)14-7-8-15(21-14)13-9-20-16(18-13)17-11(2)19/h3-9H,1-2H3,(H,17,18,19)
InChIKeyWTDPPFILFHKZFN-UHFFFAOYSA-N
MW314.44 g/mol
LogP4.81
Rot. Bonds3

About N-[4-[5-(4-methylphenyl)thiophen-2-yl]-1,3-thiazol-2-yl]acetamide

N-[4-[5-(4-methylphenyl)thiophen-2-yl]-1,3-thiazol-2-yl]acetamide (PubChem CID 35271808) has the molecular formula C16H14N2OS2 and a molecular weight of 314.44 g/mol. Its IUPAC name is N-[4-[5-(4-methylphenyl)thiophen-2-yl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[5-(4-methylphenyl)thiophen-2-yl]-1,3-thiazol-2-yl]acetamide
PubChem CID35271808
Molecular FormulaC16H14N2OS2
Molecular Weight314.44 g/mol
Exact Mass314.05
IUPAC NameN-[4-[5-(4-methylphenyl)thiophen-2-yl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(-c2ccc(-c3ccc(C)cc3)s2)cs1
InChIInChI=1S/C16H14N2OS2/c1-10-3-5-12(6-4-10)14-7-8-15(21-14)13-9-20-16(18-13)17-11(2)19/h3-9H,1-2H3,(H,17,18,19)
InChIKeyWTDPPFILFHKZFN-UHFFFAOYSA-N
XLogP4.81
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-N-[4-[5-(4-methylphenyl)thiophen-2-yl]-1,3-thiazol-2-yl]acetamide
CID 35271838
4-[5-[2-(butanoylamino)-1,3-thiazol-4-yl]thiophen-2-yl]benzoic acid
CID 35271878
N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 39038759
N-[4-[5-(4-methylphenyl)thiophen-2-yl]-1,3-thiazol-2-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 35271857
2,2-dimethyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]propanamide
CID 112771339
2-(4-acetamidophenyl)-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 42008793
N-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]acetamide
CID 15327677
(2S)-2-amino-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]propanamide
CID 119271226
sodium;4-(2-acetamido-1,3-thiazol-4-yl)benzenesulfinic acid;hydride
CID 173149508
trans-(1S,2S)-2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 2449771
2-methoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 51328878
2-ethyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide
CID 896069

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(4-methylphenyl)thiophen-2-yl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-[5-(4-methylphenyl)thiophen-2-yl]-1,3-thiazol-2-yl]acetamide (CID 35271808) is N-[4-[5-(4-methylphenyl)thiophen-2-yl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[5-(4-methylphenyl)thiophen-2-yl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-[5-(4-methylphenyl)thiophen-2-yl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(-c2ccc(-c3ccc(C)cc3)s2)cs1.
What is the InChIKey of N-[4-[5-(4-methylphenyl)thiophen-2-yl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is WTDPPFILFHKZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS2/c1-10-3-5-12(6-4-10)14-7-8-15(21-14)13-9-20-16(18-13)17-11(2)19/h3-9H,1-2H3,(H,17,18,19).
What are the key properties of N-[4-[5-(4-methylphenyl)thiophen-2-yl]-1,3-thiazol-2-yl]acetamide?
N-[4-[5-(4-methylphenyl)thiophen-2-yl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 314.44 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(4-methylphenyl)thiophen-2-yl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 35271808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).