(2R)-1-[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol

C14H23N5OS — CID 96558635

IUPAC(2R)-1-[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol
SMILESC[C@@H]1CN=C(N2CCN(C[C@@H](O)Cn3cccn3)CC2)S1
InChIInChI=1S/C14H23N5OS/c1-12-9-15-14(21-12)18-7-5-17(6-8-18)10-13(20)11-19-4-2-3-16-19/h2-4,12-13,20H,5-11H2,1H3/t12-,13-/m1/s1
InChIKeyHDPNWYWAENKUIG-CHWSQXEVSA-N
MW309.44 g/mol
LogP0.35
Rot. Bonds4

About (2R)-1-[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol

(2R)-1-[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol (PubChem CID 96558635) has the molecular formula C14H23N5OS and a molecular weight of 309.44 g/mol. Its IUPAC name is (2R)-1-[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol
PubChem CID96558635
Molecular FormulaC14H23N5OS
Molecular Weight309.44 g/mol
Exact Mass309.16
IUPAC Name(2R)-1-[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol
SMILESC[C@@H]1CN=C(N2CCN(C[C@@H](O)Cn3cccn3)CC2)S1
InChIInChI=1S/C14H23N5OS/c1-12-9-15-14(21-12)18-7-5-17(6-8-18)10-13(20)11-19-4-2-3-16-19/h2-4,12-13,20H,5-11H2,1H3/t12-,13-/m1/s1
InChIKeyHDPNWYWAENKUIG-CHWSQXEVSA-N
XLogP0.35
TPSA56.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol?
The IUPAC name of (2R)-1-[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol (CID 96558635) is (2R)-1-[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol.
What is the SMILES notation for (2R)-1-[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol?
The canonical SMILES for (2R)-1-[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol is C[C@@H]1CN=C(N2CCN(C[C@@H](O)Cn3cccn3)CC2)S1.
What is the InChIKey of (2R)-1-[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol?
The InChIKey is HDPNWYWAENKUIG-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H23N5OS/c1-12-9-15-14(21-12)18-7-5-17(6-8-18)10-13(20)11-19-4-2-3-16-19/h2-4,12-13,20H,5-11H2,1H3/t12-,13-/m1/s1.
What are the key properties of (2R)-1-[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol?
(2R)-1-[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol has a molecular weight of 309.44 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol is sourced from PubChem (CID 96558635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).