N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide

C17H21FN4OS — CID 17428539

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
SMILESCc1nc(NC(=O)CN2CCN(c3ccc(F)cc3)CC2)sc1C
InChIInChI=1S/C17H21FN4OS/c1-12-13(2)24-17(19-12)20-16(23)11-21-7-9-22(10-8-21)15-5-3-14(18)4-6-15/h3-6H,7-11H2,1-2H3,(H,19,20,23)
InChIKeyBZPATJSZDVWBOE-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.66
Rot. Bonds4

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide (PubChem CID 17428539) has the molecular formula C17H21FN4OS and a molecular weight of 348.45 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
PubChem CID17428539
Molecular FormulaC17H21FN4OS
Molecular Weight348.45 g/mol
Exact Mass348.14
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
SMILESCc1nc(NC(=O)CN2CCN(c3ccc(F)cc3)CC2)sc1C
InChIInChI=1S/C17H21FN4OS/c1-12-13(2)24-17(19-12)20-16(23)11-21-7-9-22(10-8-21)15-5-3-14(18)4-6-15/h3-6H,7-11H2,1-2H3,(H,19,20,23)
InChIKeyBZPATJSZDVWBOE-UHFFFAOYSA-N
XLogP2.66
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide (CID 17428539) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide is Cc1nc(NC(=O)CN2CCN(c3ccc(F)cc3)CC2)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide?
The InChIKey is BZPATJSZDVWBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4OS/c1-12-13(2)24-17(19-12)20-16(23)11-21-7-9-22(10-8-21)15-5-3-14(18)4-6-15/h3-6H,7-11H2,1-2H3,(H,19,20,23).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide has a molecular weight of 348.45 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 17428539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).