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

C18H17FN2OS2 — CID 20995799

IUPACN-[2-(2-fluorophenyl)ethyl]-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
SMILESCc1nc(-c2cccs2)c(CC(=O)NCCc2ccccc2F)s1
InChIInChI=1S/C18H17FN2OS2/c1-12-21-18(15-7-4-10-23-15)16(24-12)11-17(22)20-9-8-13-5-2-3-6-14(13)19/h2-7,10H,8-9,11H2,1H3,(H,20,22)
InChIKeyBXONLHONTQHPME-UHFFFAOYSA-N
MW360.48 g/mol
LogP4.22
Rot. Bonds6

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

N-[2-(2-fluorophenyl)ethyl]-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide (PubChem CID 20995799) has the molecular formula C18H17FN2OS2 and a molecular weight of 360.48 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
PubChem CID20995799
Molecular FormulaC18H17FN2OS2
Molecular Weight360.48 g/mol
Exact Mass360.08
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
SMILESCc1nc(-c2cccs2)c(CC(=O)NCCc2ccccc2F)s1
InChIInChI=1S/C18H17FN2OS2/c1-12-21-18(15-7-4-10-23-15)16(24-12)11-17(22)20-9-8-13-5-2-3-6-14(13)19/h2-7,10H,8-9,11H2,1H3,(H,20,22)
InChIKeyBXONLHONTQHPME-UHFFFAOYSA-N
XLogP4.22
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylbutyl)-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
CID 20996470
N-(4-methoxyphenyl)-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
CID 9125297
N-[2-(2-fluorophenyl)ethyl]-2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)acetamide
CID 110329182
N-[2-(2-fluorophenyl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 33195789
2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-(4-propan-2-yloxyphenyl)acetamide
CID 20995860
2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 78792118
N-[2-(2-fluorophenyl)ethyl]-3-(2-methyl-1,3-thiazol-4-yl)propanamide
CID 110332712
N-(3,5-dimethoxyphenyl)-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
CID 36765569
N-(3-chloro-2-methylphenyl)-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
CID 20995847
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 9008807
N-[2-(2-fluorophenyl)ethyl]propanamide
CID 22380876
N-(1-benzylpiperidin-4-yl)-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
CID 36762015

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide (CID 20995799) is N-[2-(2-fluorophenyl)ethyl]-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide is Cc1nc(-c2cccs2)c(CC(=O)NCCc2ccccc2F)s1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide?
The InChIKey is BXONLHONTQHPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2OS2/c1-12-21-18(15-7-4-10-23-15)16(24-12)11-17(22)20-9-8-13-5-2-3-6-14(13)19/h2-7,10H,8-9,11H2,1H3,(H,20,22).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide?
N-[2-(2-fluorophenyl)ethyl]-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide has a molecular weight of 360.48 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 20995799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).