(2R)-2-(3,5-dimethylpyrazol-1-yl)-1-[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one

C16H25N5OS — CID 95905565

IUPAC(2R)-2-(3,5-dimethylpyrazol-1-yl)-1-[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one
SMILESCc1cc(C)n([C@H](C)C(=O)N2CCN(C3=NC[C@@H](C)S3)CC2)n1
InChIInChI=1S/C16H25N5OS/c1-11-9-12(2)21(18-11)14(4)15(22)19-5-7-20(8-6-19)16-17-10-13(3)23-16/h9,13-14H,5-8,10H2,1-4H3/t13-,14-/m1/s1
InChIKeyHPUQTCOJUDQDBD-ZIAGYGMSSA-N
MW335.48 g/mol
LogP1.70
Rot. Bonds2

About (2R)-2-(3,5-dimethylpyrazol-1-yl)-1-[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one

(2R)-2-(3,5-dimethylpyrazol-1-yl)-1-[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one (PubChem CID 95905565) has the molecular formula C16H25N5OS and a molecular weight of 335.48 g/mol. Its IUPAC name is (2R)-2-(3,5-dimethylpyrazol-1-yl)-1-[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-(3,5-dimethylpyrazol-1-yl)-1-[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one
PubChem CID95905565
Molecular FormulaC16H25N5OS
Molecular Weight335.48 g/mol
Exact Mass335.18
IUPAC Name(2R)-2-(3,5-dimethylpyrazol-1-yl)-1-[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one
SMILESCc1cc(C)n([C@H](C)C(=O)N2CCN(C3=NC[C@@H](C)S3)CC2)n1
InChIInChI=1S/C16H25N5OS/c1-11-9-12(2)21(18-11)14(4)15(22)19-5-7-20(8-6-19)16-17-10-13(3)23-16/h9,13-14H,5-8,10H2,1-4H3/t13-,14-/m1/s1
InChIKeyHPUQTCOJUDQDBD-ZIAGYGMSSA-N
XLogP1.70
TPSA53.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.48
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,5-dimethylpyrazol-1-yl)-1-[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-(3,5-dimethylpyrazol-1-yl)-1-[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one (CID 95905565) is (2R)-2-(3,5-dimethylpyrazol-1-yl)-1-[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-(3,5-dimethylpyrazol-1-yl)-1-[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-(3,5-dimethylpyrazol-1-yl)-1-[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one is Cc1cc(C)n([C@H](C)C(=O)N2CCN(C3=NC[C@@H](C)S3)CC2)n1.
What is the InChIKey of (2R)-2-(3,5-dimethylpyrazol-1-yl)-1-[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one?
The InChIKey is HPUQTCOJUDQDBD-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H25N5OS/c1-11-9-12(2)21(18-11)14(4)15(22)19-5-7-20(8-6-19)16-17-10-13(3)23-16/h9,13-14H,5-8,10H2,1-4H3/t13-,14-/m1/s1.
What are the key properties of (2R)-2-(3,5-dimethylpyrazol-1-yl)-1-[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one?
(2R)-2-(3,5-dimethylpyrazol-1-yl)-1-[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one has a molecular weight of 335.48 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,5-dimethylpyrazol-1-yl)-1-[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 95905565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).