2-[4-(2-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-1,3-thiazole-4-carboxamide

C16H19FN4OS — CID 71840338

IUPAC2-[4-(2-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-1,3-thiazole-4-carboxamide
SMILESCN(C)C(=O)c1csc(N2CCN(c3ccccc3F)CC2)n1
InChIInChI=1S/C16H19FN4OS/c1-19(2)15(22)13-11-23-16(18-13)21-9-7-20(8-10-21)14-6-4-3-5-12(14)17/h3-6,11H,7-10H2,1-2H3
InChIKeyJZZHPQFKBRLAHX-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.31
Rot. Bonds3

About 2-[4-(2-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-1,3-thiazole-4-carboxamide

2-[4-(2-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-1,3-thiazole-4-carboxamide (PubChem CID 71840338) has the molecular formula C16H19FN4OS and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-1,3-thiazole-4-carboxamide
PubChem CID71840338
Molecular FormulaC16H19FN4OS
Molecular Weight334.42 g/mol
Exact Mass334.13
IUPAC Name2-[4-(2-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-1,3-thiazole-4-carboxamide
SMILESCN(C)C(=O)c1csc(N2CCN(c3ccccc3F)CC2)n1
InChIInChI=1S/C16H19FN4OS/c1-19(2)15(22)13-11-23-16(18-13)21-9-7-20(8-10-21)14-6-4-3-5-12(14)17/h3-6,11H,7-10H2,1-2H3
InChIKeyJZZHPQFKBRLAHX-UHFFFAOYSA-N
XLogP2.31
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(Acetylamino)-N-[2-(Piperidin-1-Yl)phenyl]-1,3-Thiazole-4-Carboxamide
CID 39005031
[2-(4-Methylanilino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 1096815
2-(Phenylamino)-N-[2-(1-piperazinyl)phenyl]-4-thiazolecarboxamide
CID 24779781
2-(N-methylanilino)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 24967393
(2,3-Dimethylpiperidin-1-yl)-[2-(4-methylanilino)-1,3-thiazol-4-yl]methanone
CID 71818431
2-p-Tolylamino-thiazole-4-carboxylic acid diethylamide
CID 654109
N-benzyl-1-({2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl}carbonyl)piperidine-4-carboxamide
CID 1096819
2-[[2-[4-(2-fluorophenyl)piperazin-1-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 6465336
2-[4-(4-fluorophenyl)-1-piperazinyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 17066571
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 17428539
N-(4-fluorophenyl)-N-[4-[(2-propan-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 51128940
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 71601552

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-1,3-thiazole-4-carboxamide (CID 71840338) is 2-[4-(2-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[4-(2-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[4-(2-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-1,3-thiazole-4-carboxamide is CN(C)C(=O)c1csc(N2CCN(c3ccccc3F)CC2)n1.
What is the InChIKey of 2-[4-(2-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-1,3-thiazole-4-carboxamide?
The InChIKey is JZZHPQFKBRLAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4OS/c1-19(2)15(22)13-11-23-16(18-13)21-9-7-20(8-10-21)14-6-4-3-5-12(14)17/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 2-[4-(2-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-1,3-thiazole-4-carboxamide?
2-[4-(2-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-1,3-thiazole-4-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71840338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).