(3S)-4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3-methyl-1-[(4-methylphenyl)methyl]piperazin-2-one

C19H23N5OS — CID 97285055

IUPAC(3S)-4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3-methyl-1-[(4-methylphenyl)methyl]piperazin-2-one
SMILESCc1ccc(CN2CCN(c3nc4c(s3)c(C)nn4C)[C@@H](C)C2=O)cc1
InChIInChI=1S/C19H23N5OS/c1-12-5-7-15(8-6-12)11-23-9-10-24(14(3)18(23)25)19-20-17-16(26-19)13(2)21-22(17)4/h5-8,14H,9-11H2,1-4H3/t14-/m0/s1
InChIKeyXKRYHHALUMBEEW-AWEZNQCLSA-N
MW369.49 g/mol
LogP2.88
Rot. Bonds3

About (3S)-4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3-methyl-1-[(4-methylphenyl)methyl]piperazin-2-one

(3S)-4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3-methyl-1-[(4-methylphenyl)methyl]piperazin-2-one (PubChem CID 97285055) has the molecular formula C19H23N5OS and a molecular weight of 369.49 g/mol. Its IUPAC name is (3S)-4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3-methyl-1-[(4-methylphenyl)methyl]piperazin-2-one.

Molecular Properties

Compound Name(3S)-4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3-methyl-1-[(4-methylphenyl)methyl]piperazin-2-one
PubChem CID97285055
Molecular FormulaC19H23N5OS
Molecular Weight369.49 g/mol
Exact Mass369.16
IUPAC Name(3S)-4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3-methyl-1-[(4-methylphenyl)methyl]piperazin-2-one
SMILESCc1ccc(CN2CCN(c3nc4c(s3)c(C)nn4C)[C@@H](C)C2=O)cc1
InChIInChI=1S/C19H23N5OS/c1-12-5-7-15(8-6-12)11-23-9-10-24(14(3)18(23)25)19-20-17-16(26-19)13(2)21-22(17)4/h5-8,14H,9-11H2,1-4H3/t14-/m0/s1
InChIKeyXKRYHHALUMBEEW-AWEZNQCLSA-N
XLogP2.88
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S)-4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3-methyl-1-[(4-methylphenyl)methyl]piperazin-2-one?
The IUPAC name of (3S)-4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3-methyl-1-[(4-methylphenyl)methyl]piperazin-2-one (CID 97285055) is (3S)-4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3-methyl-1-[(4-methylphenyl)methyl]piperazin-2-one.
What is the SMILES notation for (3S)-4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3-methyl-1-[(4-methylphenyl)methyl]piperazin-2-one?
The canonical SMILES for (3S)-4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3-methyl-1-[(4-methylphenyl)methyl]piperazin-2-one is Cc1ccc(CN2CCN(c3nc4c(s3)c(C)nn4C)[C@@H](C)C2=O)cc1.
What is the InChIKey of (3S)-4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3-methyl-1-[(4-methylphenyl)methyl]piperazin-2-one?
The InChIKey is XKRYHHALUMBEEW-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H23N5OS/c1-12-5-7-15(8-6-12)11-23-9-10-24(14(3)18(23)25)19-20-17-16(26-19)13(2)21-22(17)4/h5-8,14H,9-11H2,1-4H3/t14-/m0/s1.
What are the key properties of (3S)-4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3-methyl-1-[(4-methylphenyl)methyl]piperazin-2-one?
(3S)-4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3-methyl-1-[(4-methylphenyl)methyl]piperazin-2-one has a molecular weight of 369.49 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3-methyl-1-[(4-methylphenyl)methyl]piperazin-2-one is sourced from PubChem (CID 97285055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).