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

C18H17N3O3S2 — CID 166389454

IUPACN-[1-(3-methylsulfonylphenyl)ethyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
SMILESCC(NC(=O)c1cnc(-c2ccncc2)s1)c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C18H17N3O3S2/c1-12(14-4-3-5-15(10-14)26(2,23)24)21-17(22)16-11-20-18(25-16)13-6-8-19-9-7-13/h3-12H,1-2H3,(H,21,22)
InChIKeyFWZJNUYAFZYOHN-UHFFFAOYSA-N
MW387.49 g/mol
LogP3.10
Rot. Bonds5

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

N-[1-(3-methylsulfonylphenyl)ethyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide (PubChem CID 166389454) has the molecular formula C18H17N3O3S2 and a molecular weight of 387.49 g/mol. Its IUPAC name is N-[1-(3-methylsulfonylphenyl)ethyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(3-methylsulfonylphenyl)ethyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
PubChem CID166389454
Molecular FormulaC18H17N3O3S2
Molecular Weight387.49 g/mol
Exact Mass387.07
IUPAC NameN-[1-(3-methylsulfonylphenyl)ethyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
SMILESCC(NC(=O)c1cnc(-c2ccncc2)s1)c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C18H17N3O3S2/c1-12(14-4-3-5-15(10-14)26(2,23)24)21-17(22)16-11-20-18(25-16)13-6-8-19-9-7-13/h3-12H,1-2H3,(H,21,22)
InChIKeyFWZJNUYAFZYOHN-UHFFFAOYSA-N
XLogP3.10
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(3-sulfamoylphenyl)ethyl]pyridine-4-carboxamide
CID 51213435
N-(1-amino-4-methylpentan-2-yl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119585732
2-(4-methoxyphenyl)-N-[1-(3-sulfamoylphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 55407765
2-(4-methylsulfonylphenyl)-1,3-thiazole-5-carboxamide
CID 141096444
N-[1-(3-sulfamoylphenyl)ethyl]thiophene-3-carboxamide
CID 47009666
2,5-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 122159478
N-[2-(ethylamino)ethyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 119505049
N-methyl-1-(3-methylsulfonylphenyl)ethanamine
CID 112704192
(1R)-N-methyl-1-(3-methylsulfonylphenyl)ethanamine
CID 130699454
N-(1-aminohexan-2-yl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 119665216
2-(4-methoxyphenyl)-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 96562479
3,5-dichloro-N-[1-(3-sulfamoylphenyl)ethyl]benzamide
CID 51213469

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methylsulfonylphenyl)ethyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[1-(3-methylsulfonylphenyl)ethyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide (CID 166389454) is N-[1-(3-methylsulfonylphenyl)ethyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[1-(3-methylsulfonylphenyl)ethyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[1-(3-methylsulfonylphenyl)ethyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide is CC(NC(=O)c1cnc(-c2ccncc2)s1)c1cccc(S(C)(=O)=O)c1.
What is the InChIKey of N-[1-(3-methylsulfonylphenyl)ethyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide?
The InChIKey is FWZJNUYAFZYOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S2/c1-12(14-4-3-5-15(10-14)26(2,23)24)21-17(22)16-11-20-18(25-16)13-6-8-19-9-7-13/h3-12H,1-2H3,(H,21,22).
What are the key properties of N-[1-(3-methylsulfonylphenyl)ethyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide?
N-[1-(3-methylsulfonylphenyl)ethyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide has a molecular weight of 387.49 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methylsulfonylphenyl)ethyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 166389454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).