(3R)-3-butyl-4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-1-methylpiperazin-2-one

C15H23N5OS — CID 97269240

IUPAC(3R)-3-butyl-4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-1-methylpiperazin-2-one
SMILESCCCC[C@@H]1C(=O)N(C)CCN1c1nc2c(s1)c(C)nn2C
InChIInChI=1S/C15H23N5OS/c1-5-6-7-11-14(21)18(3)8-9-20(11)15-16-13-12(22-15)10(2)17-19(13)4/h11H,5-9H2,1-4H3/t11-/m1/s1
InChIKeyNMRHRTCERUJZIX-LLVKDONJSA-N
MW321.45 g/mol
LogP2.18
Rot. Bonds4

About (3R)-3-butyl-4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-1-methylpiperazin-2-one

(3R)-3-butyl-4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-1-methylpiperazin-2-one (PubChem CID 97269240) has the molecular formula C15H23N5OS and a molecular weight of 321.45 g/mol. Its IUPAC name is (3R)-3-butyl-4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-1-methylpiperazin-2-one.

Molecular Properties

Compound Name(3R)-3-butyl-4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-1-methylpiperazin-2-one
PubChem CID97269240
Molecular FormulaC15H23N5OS
Molecular Weight321.45 g/mol
Exact Mass321.16
IUPAC Name(3R)-3-butyl-4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-1-methylpiperazin-2-one
SMILESCCCC[C@@H]1C(=O)N(C)CCN1c1nc2c(s1)c(C)nn2C
InChIInChI=1S/C15H23N5OS/c1-5-6-7-11-14(21)18(3)8-9-20(11)15-16-13-12(22-15)10(2)17-19(13)4/h11H,5-9H2,1-4H3/t11-/m1/s1
InChIKeyNMRHRTCERUJZIX-LLVKDONJSA-N
XLogP2.18
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-butyl-4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-1-methylpiperazin-2-one?
The IUPAC name of (3R)-3-butyl-4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-1-methylpiperazin-2-one (CID 97269240) is (3R)-3-butyl-4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-1-methylpiperazin-2-one.
What is the SMILES notation for (3R)-3-butyl-4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-1-methylpiperazin-2-one?
The canonical SMILES for (3R)-3-butyl-4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-1-methylpiperazin-2-one is CCCC[C@@H]1C(=O)N(C)CCN1c1nc2c(s1)c(C)nn2C.
What is the InChIKey of (3R)-3-butyl-4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-1-methylpiperazin-2-one?
The InChIKey is NMRHRTCERUJZIX-LLVKDONJSA-N. The full InChI is InChI=1S/C15H23N5OS/c1-5-6-7-11-14(21)18(3)8-9-20(11)15-16-13-12(22-15)10(2)17-19(13)4/h11H,5-9H2,1-4H3/t11-/m1/s1.
What are the key properties of (3R)-3-butyl-4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-1-methylpiperazin-2-one?
(3R)-3-butyl-4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-1-methylpiperazin-2-one has a molecular weight of 321.45 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-butyl-4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-1-methylpiperazin-2-one is sourced from PubChem (CID 97269240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).