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

C17H17FN4OS — CID 86786985

IUPACN-(4-fluorophenyl)-2-(1-methylpyrazol-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
SMILESCc1nc(CN(C(=O)Cc2ccn(C)n2)c2ccc(F)cc2)cs1
InChIInChI=1S/C17H17FN4OS/c1-12-19-15(11-24-12)10-22(16-5-3-13(18)4-6-16)17(23)9-14-7-8-21(2)20-14/h3-8,11H,9-10H2,1-2H3
InChIKeyLENDHRIMMGWEPE-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.10
Rot. Bonds5

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

N-(4-fluorophenyl)-2-(1-methylpyrazol-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide (PubChem CID 86786985) has the molecular formula C17H17FN4OS and a molecular weight of 344.42 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(1-methylpyrazol-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(1-methylpyrazol-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
PubChem CID86786985
Molecular FormulaC17H17FN4OS
Molecular Weight344.42 g/mol
Exact Mass344.11
IUPAC NameN-(4-fluorophenyl)-2-(1-methylpyrazol-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
SMILESCc1nc(CN(C(=O)Cc2ccn(C)n2)c2ccc(F)cc2)cs1
InChIInChI=1S/C17H17FN4OS/c1-12-19-15(11-24-12)10-22(16-5-3-13(18)4-6-16)17(23)9-14-7-8-21(2)20-14/h3-8,11H,9-10H2,1-2H3
InChIKeyLENDHRIMMGWEPE-UHFFFAOYSA-N
XLogP3.10
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(1-methylpyrazol-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-(1-methylpyrazol-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide (CID 86786985) is N-(4-fluorophenyl)-2-(1-methylpyrazol-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(1-methylpyrazol-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(1-methylpyrazol-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide is Cc1nc(CN(C(=O)Cc2ccn(C)n2)c2ccc(F)cc2)cs1.
What is the InChIKey of N-(4-fluorophenyl)-2-(1-methylpyrazol-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide?
The InChIKey is LENDHRIMMGWEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4OS/c1-12-19-15(11-24-12)10-22(16-5-3-13(18)4-6-16)17(23)9-14-7-8-21(2)20-14/h3-8,11H,9-10H2,1-2H3.
What are the key properties of N-(4-fluorophenyl)-2-(1-methylpyrazol-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide?
N-(4-fluorophenyl)-2-(1-methylpyrazol-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide has a molecular weight of 344.42 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(1-methylpyrazol-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide is sourced from PubChem (CID 86786985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).