(2R)-1-[(2R)-4-[(5-chlorothiadiazol-4-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol

C12H21ClN4OS — CID 95978192

IUPAC(2R)-1-[(2R)-4-[(5-chlorothiadiazol-4-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol
SMILESCC[C@@H]1CN(Cc2nnsc2Cl)CCN1C[C@@H](C)O
InChIInChI=1S/C12H21ClN4OS/c1-3-10-7-16(4-5-17(10)6-9(2)18)8-11-12(13)19-15-14-11/h9-10,18H,3-8H2,1-2H3/t9-,10-/m1/s1
InChIKeyOXTNGJGAXVHSEI-NXEZZACHSA-N
MW304.85 g/mol
LogP1.47
Rot. Bonds5

About (2R)-1-[(2R)-4-[(5-chlorothiadiazol-4-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol

(2R)-1-[(2R)-4-[(5-chlorothiadiazol-4-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol (PubChem CID 95978192) has the molecular formula C12H21ClN4OS and a molecular weight of 304.85 g/mol. Its IUPAC name is (2R)-1-[(2R)-4-[(5-chlorothiadiazol-4-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(2R)-4-[(5-chlorothiadiazol-4-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol
PubChem CID95978192
Molecular FormulaC12H21ClN4OS
Molecular Weight304.85 g/mol
Exact Mass304.11
IUPAC Name(2R)-1-[(2R)-4-[(5-chlorothiadiazol-4-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol
SMILESCC[C@@H]1CN(Cc2nnsc2Cl)CCN1C[C@@H](C)O
InChIInChI=1S/C12H21ClN4OS/c1-3-10-7-16(4-5-17(10)6-9(2)18)8-11-12(13)19-15-14-11/h9-10,18H,3-8H2,1-2H3/t9-,10-/m1/s1
InChIKeyOXTNGJGAXVHSEI-NXEZZACHSA-N
XLogP1.47
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.85
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2R)-4-[(5-chlorothiadiazol-4-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-[(2R)-4-[(5-chlorothiadiazol-4-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol (CID 95978192) is (2R)-1-[(2R)-4-[(5-chlorothiadiazol-4-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-[(2R)-4-[(5-chlorothiadiazol-4-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-[(2R)-4-[(5-chlorothiadiazol-4-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol is CC[C@@H]1CN(Cc2nnsc2Cl)CCN1C[C@@H](C)O.
What is the InChIKey of (2R)-1-[(2R)-4-[(5-chlorothiadiazol-4-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol?
The InChIKey is OXTNGJGAXVHSEI-NXEZZACHSA-N. The full InChI is InChI=1S/C12H21ClN4OS/c1-3-10-7-16(4-5-17(10)6-9(2)18)8-11-12(13)19-15-14-11/h9-10,18H,3-8H2,1-2H3/t9-,10-/m1/s1.
What are the key properties of (2R)-1-[(2R)-4-[(5-chlorothiadiazol-4-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol?
(2R)-1-[(2R)-4-[(5-chlorothiadiazol-4-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol has a molecular weight of 304.85 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2R)-4-[(5-chlorothiadiazol-4-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol is sourced from PubChem (CID 95978192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).