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

C18H25N3O2S — CID 94028188

IUPAC(2S)-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-phenylmethoxypropan-2-ol
SMILESCc1csc(N2CCN(C[C@H](O)COCc3ccccc3)CC2)n1
InChIInChI=1S/C18H25N3O2S/c1-15-14-24-18(19-15)21-9-7-20(8-10-21)11-17(22)13-23-12-16-5-3-2-4-6-16/h2-6,14,17,22H,7-13H2,1H3/t17-/m0/s1
InChIKeyJYEWYSZDWPYXGE-KRWDZBQOSA-N
MW347.48 g/mol
LogP2.15
Rot. Bonds7

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

(2S)-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-phenylmethoxypropan-2-ol (PubChem CID 94028188) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is (2S)-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-phenylmethoxypropan-2-ol
PubChem CID94028188
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC Name(2S)-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-phenylmethoxypropan-2-ol
SMILESCc1csc(N2CCN(C[C@H](O)COCc3ccccc3)CC2)n1
InChIInChI=1S/C18H25N3O2S/c1-15-14-24-18(19-15)21-9-7-20(8-10-21)11-17(22)13-23-12-16-5-3-2-4-6-16/h2-6,14,17,22H,7-13H2,1H3/t17-/m0/s1
InChIKeyJYEWYSZDWPYXGE-KRWDZBQOSA-N
XLogP2.15
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-phenoxypropan-2-ol
CID 95317688
(2S)-1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol
CID 740501
1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol chloride
CID 53346846
1-phenylmethoxy-3-piperidin-1-ylpropan-2-ol
CID 2769742
1-[4-(2-methylsulfanylphenyl)piperazin-1-yl]-3-phenylmethoxypropan-2-ol
CID 3769428
1-phenylmethoxy-3-piperidin-1-ylpropan-2-ol chloride
CID 21236635
1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-phenylmethoxypropan-2-ol dichloride
CID 21236661
1-(4-methylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol
CID 2834350
ethyl 4-(2-hydroxy-3-phenylmethoxypropyl)piperazine-1-carboxylate;hydrochloride
CID 2770557
ethyl 4-(2-hydroxy-3-phenylmethoxypropyl)piperazine-1-carboxylate chloride
CID 46863744
1-(2-hydroxy-3-phenylmethoxypropyl)piperidin-4-ol
CID 60632394
1-[(2S)-2-hydroxy-3-phenylmethoxypropyl]piperidin-4-one
CID 95357977

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-phenylmethoxypropan-2-ol?
The IUPAC name of (2S)-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-phenylmethoxypropan-2-ol (CID 94028188) is (2S)-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for (2S)-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-phenylmethoxypropan-2-ol?
The canonical SMILES for (2S)-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-phenylmethoxypropan-2-ol is Cc1csc(N2CCN(C[C@H](O)COCc3ccccc3)CC2)n1.
What is the InChIKey of (2S)-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-phenylmethoxypropan-2-ol?
The InChIKey is JYEWYSZDWPYXGE-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-15-14-24-18(19-15)21-9-7-20(8-10-21)11-17(22)13-23-12-16-5-3-2-4-6-16/h2-6,14,17,22H,7-13H2,1H3/t17-/m0/s1.
What are the key properties of (2S)-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-phenylmethoxypropan-2-ol?
(2S)-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-phenylmethoxypropan-2-ol has a molecular weight of 347.48 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-phenylmethoxypropan-2-ol is sourced from PubChem (CID 94028188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).