N-[2-(4-fluorophenyl)ethyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide

C14H15FN2OS — CID 110465627

IUPACN-[2-(4-fluorophenyl)ethyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCCc2ccc(F)cc2)c(C)s1
InChIInChI=1S/C14H15FN2OS/c1-9-13(17-10(2)19-9)14(18)16-8-7-11-3-5-12(15)6-4-11/h3-6H,7-8H2,1-2H3,(H,16,18)
InChIKeyFUTJGKKBCNXKOG-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.87
Rot. Bonds4

About N-[2-(4-fluorophenyl)ethyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide

N-[2-(4-fluorophenyl)ethyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide (PubChem CID 110465627) has the molecular formula C14H15FN2OS and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide
PubChem CID110465627
Molecular FormulaC14H15FN2OS
Molecular Weight278.35 g/mol
Exact Mass278.09
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCCc2ccc(F)cc2)c(C)s1
InChIInChI=1S/C14H15FN2OS/c1-9-13(17-10(2)19-9)14(18)16-8-7-11-3-5-12(15)6-4-11/h3-6H,7-8H2,1-2H3,(H,16,18)
InChIKeyFUTJGKKBCNXKOG-UHFFFAOYSA-N
XLogP2.87
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 110474312
5-fluoro-N-[2-(4-fluorophenyl)ethyl]-3-methylpyridine-2-carboxamide
CID 146074902
5-chloro-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide
CID 9392714
3-fluoro-N-[2-(4-fluorophenyl)ethyl]-5-methylpyridine-2-carboxamide
CID 146074894
N-[2-(4-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide
CID 17172904
N-benzyl-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 110465518
N-[(4-methoxyphenyl)methyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 110465620
N-(2,6-difluorophenyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 110465586
N-[2-(4-fluorophenyl)ethyl]-3,4-dimethylbenzamide
CID 3946122
N-(2,4-difluorophenyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 110465588
6-N-[2-(4-fluorophenyl)ethyl]-2-N-propylpyridine-2,6-dicarboxamide
CID 109093462
4-N-[2-(4-fluorophenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide
CID 109042913

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide (CID 110465627) is N-[2-(4-fluorophenyl)ethyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)NCCc2ccc(F)cc2)c(C)s1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide?
The InChIKey is FUTJGKKBCNXKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2OS/c1-9-13(17-10(2)19-9)14(18)16-8-7-11-3-5-12(15)6-4-11/h3-6H,7-8H2,1-2H3,(H,16,18).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide?
N-[2-(4-fluorophenyl)ethyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 110465627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).