2-[4-[(2S)-2-methyl-4-(1,3-thiazol-2-ylsulfonyl)piperazin-1-yl]phenyl]propan-2-ol

C17H23N3O3S2 — CID 70659402

IUPAC2-[4-[(2S)-2-methyl-4-(1,3-thiazol-2-ylsulfonyl)piperazin-1-yl]phenyl]propan-2-ol
SMILESC[C@H]1CN(S(=O)(=O)c2nccs2)CCN1c1ccc(C(C)(C)O)cc1
InChIInChI=1S/C17H23N3O3S2/c1-13-12-19(25(22,23)16-18-8-11-24-16)9-10-20(13)15-6-4-14(5-7-15)17(2,3)21/h4-8,11,13,21H,9-10,12H2,1-3H3/t13-/m0/s1
InChIKeyMWFRDJWMWJOXHN-ZDUSSCGKSA-N
MW381.52 g/mol
LogP2.27
Rot. Bonds4

About 2-[4-[(2S)-2-methyl-4-(1,3-thiazol-2-ylsulfonyl)piperazin-1-yl]phenyl]propan-2-ol

2-[4-[(2S)-2-methyl-4-(1,3-thiazol-2-ylsulfonyl)piperazin-1-yl]phenyl]propan-2-ol (PubChem CID 70659402) has the molecular formula C17H23N3O3S2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 2-[4-[(2S)-2-methyl-4-(1,3-thiazol-2-ylsulfonyl)piperazin-1-yl]phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-[(2S)-2-methyl-4-(1,3-thiazol-2-ylsulfonyl)piperazin-1-yl]phenyl]propan-2-ol
PubChem CID70659402
Molecular FormulaC17H23N3O3S2
Molecular Weight381.52 g/mol
Exact Mass381.12
IUPAC Name2-[4-[(2S)-2-methyl-4-(1,3-thiazol-2-ylsulfonyl)piperazin-1-yl]phenyl]propan-2-ol
SMILESC[C@H]1CN(S(=O)(=O)c2nccs2)CCN1c1ccc(C(C)(C)O)cc1
InChIInChI=1S/C17H23N3O3S2/c1-13-12-19(25(22,23)16-18-8-11-24-16)9-10-20(13)15-6-4-14(5-7-15)17(2,3)21/h4-8,11,13,21H,9-10,12H2,1-3H3/t13-/m0/s1
InChIKeyMWFRDJWMWJOXHN-ZDUSSCGKSA-N
XLogP2.27
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

4-[(2S)-2-methyl-4-(1,3-thiazol-2-ylsulfonyl)piperazin-1-yl]phenol
CID 66586145
1,1,1-trifluoro-2-[4-[(2S)-2-sulfanyl-4-(1,3-thiazol-2-ylsulfonyl)piperazin-1-yl]phenyl]propan-2-ol
CID 150995453
1,1,1-trifluoro-2-[4-[(2S)-2-methyl-4-thiophen-2-ylsulfonylpiperazin-1-yl]phenyl]propan-2-ol
CID 56932932
2-[4-[(2R)-2-(benzenesulfonylmethyl)-4-[(6-chloro-3-pyridinyl)sulfonyl]piperazin-1-yl]phenyl]propan-2-ol
CID 88878235
bis(2-[4-[(2S)-2-[[(3R)-3-methyl-1,1-dioxo-1,4-thiazinan-4-yl]methyl]-4-thiophen-2-ylsulfonylpiperazin-1-yl]phenyl]propan-2-ol);bis(2-[4-[(2S)-2-[[(3S)-3-methyl-1,1-dioxo-1,4-thiazinan-4-yl]methyl]-4-thiophen-2-ylsulfonylpiperazin-1-yl]phenyl]propan-2-ol)
CID 160744655
1,1,1-trifluoro-2-[4-[(2S)-2-methyl-4-(2-sulfanylphenyl)sulfonylpiperazin-1-yl]phenyl]propan-2-ol
CID 123776855
2-[4-[(2R)-2-[[dimethylsulfamoyl(propan-2-yl)amino]methyl]-4-thiophen-2-ylsulfonylpiperazin-1-yl]phenyl]propan-2-ol
CID 70659618
2-[4-[(2R)-2-(cyclohexylmethyl)-4-thiophen-2-ylsulfonylpiperazin-1-yl]phenyl]propan-2-ol
CID 70659462
(2R)-3,3,3-trifluoro-2-[4-[(2S)-2-methyl-4-(2-sulfanylphenyl)sulfonylpiperazin-1-yl]phenyl]propane-1,2-diol
CID 123190033
2-[4-[(2R)-2-(phenylsulfanylmethyl)-4-thiophen-2-ylsulfonylpiperazin-1-yl]phenyl]propan-2-ol
CID 70659818
2-[4-[(2S)-4-(5-amino-2-sulfanylphenyl)sulfonyl-2-methylpiperazin-1-yl]phenyl]-1,1,1-trifluoropropan-2-ol
CID 123354875
2-[4-[(2S)-4-[(6-amino-3-pyridinyl)sulfonyl]-2-[[(3S)-3-methylmorpholin-4-yl]methyl]piperazin-1-yl]phenyl]propan-2-ol
CID 70659587

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2S)-2-methyl-4-(1,3-thiazol-2-ylsulfonyl)piperazin-1-yl]phenyl]propan-2-ol?
The IUPAC name of 2-[4-[(2S)-2-methyl-4-(1,3-thiazol-2-ylsulfonyl)piperazin-1-yl]phenyl]propan-2-ol (CID 70659402) is 2-[4-[(2S)-2-methyl-4-(1,3-thiazol-2-ylsulfonyl)piperazin-1-yl]phenyl]propan-2-ol.
What is the SMILES notation for 2-[4-[(2S)-2-methyl-4-(1,3-thiazol-2-ylsulfonyl)piperazin-1-yl]phenyl]propan-2-ol?
The canonical SMILES for 2-[4-[(2S)-2-methyl-4-(1,3-thiazol-2-ylsulfonyl)piperazin-1-yl]phenyl]propan-2-ol is C[C@H]1CN(S(=O)(=O)c2nccs2)CCN1c1ccc(C(C)(C)O)cc1.
What is the InChIKey of 2-[4-[(2S)-2-methyl-4-(1,3-thiazol-2-ylsulfonyl)piperazin-1-yl]phenyl]propan-2-ol?
The InChIKey is MWFRDJWMWJOXHN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H23N3O3S2/c1-13-12-19(25(22,23)16-18-8-11-24-16)9-10-20(13)15-6-4-14(5-7-15)17(2,3)21/h4-8,11,13,21H,9-10,12H2,1-3H3/t13-/m0/s1.
What are the key properties of 2-[4-[(2S)-2-methyl-4-(1,3-thiazol-2-ylsulfonyl)piperazin-1-yl]phenyl]propan-2-ol?
2-[4-[(2S)-2-methyl-4-(1,3-thiazol-2-ylsulfonyl)piperazin-1-yl]phenyl]propan-2-ol has a molecular weight of 381.52 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2S)-2-methyl-4-(1,3-thiazol-2-ylsulfonyl)piperazin-1-yl]phenyl]propan-2-ol is sourced from PubChem (CID 70659402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).