N-(2-fluoro-4-methylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide

C18H16FN3OS — CID 23644852

IUPACN-(2-fluoro-4-methylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2scnc2CCc2ccncc2)c(F)c1
InChIInChI=1S/C18H16FN3OS/c1-12-2-4-15(14(19)10-12)22-18(23)17-16(21-11-24-17)5-3-13-6-8-20-9-7-13/h2,4,6-11H,3,5H2,1H3,(H,22,23)
InChIKeyAGGJJUDCDYBLHH-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.02
Rot. Bonds5

About N-(2-fluoro-4-methylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide

N-(2-fluoro-4-methylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide (PubChem CID 23644852) has the molecular formula C18H16FN3OS and a molecular weight of 341.41 g/mol. Its IUPAC name is N-(2-fluoro-4-methylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-4-methylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
PubChem CID23644852
Molecular FormulaC18H16FN3OS
Molecular Weight341.41 g/mol
Exact Mass341.10
IUPAC NameN-(2-fluoro-4-methylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2scnc2CCc2ccncc2)c(F)c1
InChIInChI=1S/C18H16FN3OS/c1-12-2-4-15(14(19)10-12)22-18(23)17-16(21-11-24-17)5-3-13-6-8-20-9-7-13/h2,4,6-11H,3,5H2,1H3,(H,22,23)
InChIKeyAGGJJUDCDYBLHH-UHFFFAOYSA-N
XLogP4.02
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 10237742
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CID 10308461
CID 10308615
CID 10308615
CID 5297318
CID 5297318
CID 11617549
CID 11617549
CID 23644830
CID 23644830
CID 23644838
CID 23644838
CID 23644843
CID 23644843
CID 23644846
CID 23644846

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-methylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-fluoro-4-methylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide (CID 23644852) is N-(2-fluoro-4-methylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-fluoro-4-methylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-fluoro-4-methylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide is Cc1ccc(NC(=O)c2scnc2CCc2ccncc2)c(F)c1.
What is the InChIKey of N-(2-fluoro-4-methylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is AGGJJUDCDYBLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3OS/c1-12-2-4-15(14(19)10-12)22-18(23)17-16(21-11-24-17)5-3-13-6-8-20-9-7-13/h2,4,6-11H,3,5H2,1H3,(H,22,23).
What are the key properties of N-(2-fluoro-4-methylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide?
N-(2-fluoro-4-methylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-methylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 23644852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).