N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]propanamide

C20H25FN4O2S — CID 55841176

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]propanamide
SMILESCc1ccc(C(=O)N2CCN(C(C)C(=O)Nc3nc(C)c(C)s3)CC2)cc1F
InChIInChI=1S/C20H25FN4O2S/c1-12-5-6-16(11-17(12)21)19(27)25-9-7-24(8-10-25)14(3)18(26)23-20-22-13(2)15(4)28-20/h5-6,11,14H,7-10H2,1-4H3,(H,22,23,26)
InChIKeyAFJSZDJWDJJGPX-UHFFFAOYSA-N
MW404.51 g/mol
LogP2.99
Rot. Bonds4

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]propanamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]propanamide (PubChem CID 55841176) has the molecular formula C20H25FN4O2S and a molecular weight of 404.51 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]propanamide
PubChem CID55841176
Molecular FormulaC20H25FN4O2S
Molecular Weight404.51 g/mol
Exact Mass404.17
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]propanamide
SMILESCc1ccc(C(=O)N2CCN(C(C)C(=O)Nc3nc(C)c(C)s3)CC2)cc1F
InChIInChI=1S/C20H25FN4O2S/c1-12-5-6-16(11-17(12)21)19(27)25-9-7-24(8-10-25)14(3)18(26)23-20-22-13(2)15(4)28-20/h5-6,11,14H,7-10H2,1-4H3,(H,22,23,26)
InChIKeyAFJSZDJWDJJGPX-UHFFFAOYSA-N
XLogP2.99
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 60505965
2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 60505820
(2R)-N-(2,5-dimethylphenyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]propanamide
CID 36877338
(2R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 34180167
2-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]piperazin-1-yl]propanoic acid
CID 62309513
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]propanamide
CID 55591159
N-(2-fluorophenyl)-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]propanamide
CID 60502336
2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
CID 55591308
(3-fluoro-4-methylphenyl)-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]methanone
CID 133371548
N-(1,3-benzothiazol-2-yl)-2-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]propanamide
CID 55830652
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]propanamide
CID 55850550
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propanamide
CID 51077604

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]propanamide (CID 55841176) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]propanamide is Cc1ccc(C(=O)N2CCN(C(C)C(=O)Nc3nc(C)c(C)s3)CC2)cc1F.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]propanamide?
The InChIKey is AFJSZDJWDJJGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O2S/c1-12-5-6-16(11-17(12)21)19(27)25-9-7-24(8-10-25)14(3)18(26)23-20-22-13(2)15(4)28-20/h5-6,11,14H,7-10H2,1-4H3,(H,22,23,26).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]propanamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]propanamide has a molecular weight of 404.51 g/mol, XLogP of 2.99, 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-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 55841176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).