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

C20H26N4O2S — CID 39985726

IUPAC(2S)-N-(4-acetylphenyl)-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propanamide
SMILESCC(=O)c1ccc(NC(=O)[C@H](C)N2CCN(Cc3csc(C)n3)CC2)cc1
InChIInChI=1S/C20H26N4O2S/c1-14(20(26)22-18-6-4-17(5-7-18)15(2)25)24-10-8-23(9-11-24)12-19-13-27-16(3)21-19/h4-7,13-14H,8-12H2,1-3H3,(H,22,26)/t14-/m0/s1
InChIKeyGPBRTLGGWOPOTA-AWEZNQCLSA-N
MW386.52 g/mol
LogP2.80
Rot. Bonds6

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

(2S)-N-(4-acetylphenyl)-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propanamide (PubChem CID 39985726) has the molecular formula C20H26N4O2S and a molecular weight of 386.52 g/mol. Its IUPAC name is (2S)-N-(4-acetylphenyl)-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(4-acetylphenyl)-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propanamide
PubChem CID39985726
Molecular FormulaC20H26N4O2S
Molecular Weight386.52 g/mol
Exact Mass386.18
IUPAC Name(2S)-N-(4-acetylphenyl)-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propanamide
SMILESCC(=O)c1ccc(NC(=O)[C@H](C)N2CCN(Cc3csc(C)n3)CC2)cc1
InChIInChI=1S/C20H26N4O2S/c1-14(20(26)22-18-6-4-17(5-7-18)15(2)25)24-10-8-23(9-11-24)12-19-13-27-16(3)21-19/h4-7,13-14H,8-12H2,1-3H3,(H,22,26)/t14-/m0/s1
InChIKeyGPBRTLGGWOPOTA-AWEZNQCLSA-N
XLogP2.80
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-acetylphenyl)-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propanamide?
The IUPAC name of (2S)-N-(4-acetylphenyl)-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propanamide (CID 39985726) is (2S)-N-(4-acetylphenyl)-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-(4-acetylphenyl)-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propanamide?
The canonical SMILES for (2S)-N-(4-acetylphenyl)-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propanamide is CC(=O)c1ccc(NC(=O)[C@H](C)N2CCN(Cc3csc(C)n3)CC2)cc1.
What is the InChIKey of (2S)-N-(4-acetylphenyl)-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propanamide?
The InChIKey is GPBRTLGGWOPOTA-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H26N4O2S/c1-14(20(26)22-18-6-4-17(5-7-18)15(2)25)24-10-8-23(9-11-24)12-19-13-27-16(3)21-19/h4-7,13-14H,8-12H2,1-3H3,(H,22,26)/t14-/m0/s1.
What are the key properties of (2S)-N-(4-acetylphenyl)-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propanamide?
(2S)-N-(4-acetylphenyl)-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propanamide has a molecular weight of 386.52 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-acetylphenyl)-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 39985726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).