N-[2-(3-fluorophenoxy)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide

C18H16FN3O2S — CID 35097252

IUPACN-[2-(3-fluorophenoxy)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccn2)sc1C(=O)NCCOc1cccc(F)c1
InChIInChI=1S/C18H16FN3O2S/c1-12-16(25-18(22-12)15-7-2-3-8-20-15)17(23)21-9-10-24-14-6-4-5-13(19)11-14/h2-8,11H,9-10H2,1H3,(H,21,23)
InChIKeyNIWKCIRDCZWLNZ-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.46
Rot. Bonds6

About N-[2-(3-fluorophenoxy)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide

N-[2-(3-fluorophenoxy)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 35097252) has the molecular formula C18H16FN3O2S and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[2-(3-fluorophenoxy)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenoxy)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
PubChem CID35097252
Molecular FormulaC18H16FN3O2S
Molecular Weight357.41 g/mol
Exact Mass357.09
IUPAC NameN-[2-(3-fluorophenoxy)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccn2)sc1C(=O)NCCOc1cccc(F)c1
InChIInChI=1S/C18H16FN3O2S/c1-12-16(25-18(22-12)15-7-2-3-8-20-15)17(23)21-9-10-24-14-6-4-5-13(19)11-14/h2-8,11H,9-10H2,1H3,(H,21,23)
InChIKeyNIWKCIRDCZWLNZ-UHFFFAOYSA-N
XLogP3.46
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-butoxyphenyl)methyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 55787475
4-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 18107589
N-[2-(diethylamino)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 39084221
N-benzyl-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 9138512
6-[(4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbonyl)amino]hexanoic acid
CID 39165087
4-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 71895393
N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 134040764
N-[2-(4-methoxyphenoxy)ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 26710485
4-methyl-N-[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 51950170
N-[(4-chlorophenyl)methyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 9138190
2-(4-methoxyphenyl)-4-methyl-N-(3-phenoxypropyl)-1,3-thiazole-5-carboxamide
CID 22830449
N-[2-(tert-butylamino)-2-oxoethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 26953998

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenoxy)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(3-fluorophenoxy)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide (CID 35097252) is N-[2-(3-fluorophenoxy)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(3-fluorophenoxy)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(3-fluorophenoxy)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccccn2)sc1C(=O)NCCOc1cccc(F)c1.
What is the InChIKey of N-[2-(3-fluorophenoxy)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is NIWKCIRDCZWLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2S/c1-12-16(25-18(22-12)15-7-2-3-8-20-15)17(23)21-9-10-24-14-6-4-5-13(19)11-14/h2-8,11H,9-10H2,1H3,(H,21,23).
What are the key properties of N-[2-(3-fluorophenoxy)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
N-[2-(3-fluorophenoxy)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenoxy)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 35097252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).