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

C19H25FN4OS — CID 59542747

IUPACN-(4-fluorophenyl)-2,2-dimethyl-N-[(2-piperazin-1-yl-1,3-thiazol-4-yl)methyl]propanamide
SMILESCC(C)(C)C(=O)N(Cc1csc(N2CCNCC2)n1)c1ccc(F)cc1
InChIInChI=1S/C19H25FN4OS/c1-19(2,3)17(25)24(16-6-4-14(20)5-7-16)12-15-13-26-18(22-15)23-10-8-21-9-11-23/h4-7,13,21H,8-12H2,1-3H3
InChIKeySPEANAIKTVBFDW-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.27
Rot. Bonds4

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

N-(4-fluorophenyl)-2,2-dimethyl-N-[(2-piperazin-1-yl-1,3-thiazol-4-yl)methyl]propanamide (PubChem CID 59542747) has the molecular formula C19H25FN4OS and a molecular weight of 376.50 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2,2-dimethyl-N-[(2-piperazin-1-yl-1,3-thiazol-4-yl)methyl]propanamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2,2-dimethyl-N-[(2-piperazin-1-yl-1,3-thiazol-4-yl)methyl]propanamide
PubChem CID59542747
Molecular FormulaC19H25FN4OS
Molecular Weight376.50 g/mol
Exact Mass376.17
IUPAC NameN-(4-fluorophenyl)-2,2-dimethyl-N-[(2-piperazin-1-yl-1,3-thiazol-4-yl)methyl]propanamide
SMILESCC(C)(C)C(=O)N(Cc1csc(N2CCNCC2)n1)c1ccc(F)cc1
InChIInChI=1S/C19H25FN4OS/c1-19(2,3)17(25)24(16-6-4-14(20)5-7-16)12-15-13-26-18(22-15)23-10-8-21-9-11-23/h4-7,13,21H,8-12H2,1-3H3
InChIKeySPEANAIKTVBFDW-UHFFFAOYSA-N
XLogP3.27
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2,2-dimethyl-N-[(2-piperazin-1-yl-1,3-thiazol-4-yl)methyl]propanamide?
The IUPAC name of N-(4-fluorophenyl)-2,2-dimethyl-N-[(2-piperazin-1-yl-1,3-thiazol-4-yl)methyl]propanamide (CID 59542747) is N-(4-fluorophenyl)-2,2-dimethyl-N-[(2-piperazin-1-yl-1,3-thiazol-4-yl)methyl]propanamide.
What is the SMILES notation for N-(4-fluorophenyl)-2,2-dimethyl-N-[(2-piperazin-1-yl-1,3-thiazol-4-yl)methyl]propanamide?
The canonical SMILES for N-(4-fluorophenyl)-2,2-dimethyl-N-[(2-piperazin-1-yl-1,3-thiazol-4-yl)methyl]propanamide is CC(C)(C)C(=O)N(Cc1csc(N2CCNCC2)n1)c1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2,2-dimethyl-N-[(2-piperazin-1-yl-1,3-thiazol-4-yl)methyl]propanamide?
The InChIKey is SPEANAIKTVBFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4OS/c1-19(2,3)17(25)24(16-6-4-14(20)5-7-16)12-15-13-26-18(22-15)23-10-8-21-9-11-23/h4-7,13,21H,8-12H2,1-3H3.
What are the key properties of N-(4-fluorophenyl)-2,2-dimethyl-N-[(2-piperazin-1-yl-1,3-thiazol-4-yl)methyl]propanamide?
N-(4-fluorophenyl)-2,2-dimethyl-N-[(2-piperazin-1-yl-1,3-thiazol-4-yl)methyl]propanamide has a molecular weight of 376.50 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2,2-dimethyl-N-[(2-piperazin-1-yl-1,3-thiazol-4-yl)methyl]propanamide is sourced from PubChem (CID 59542747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).