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

C17H30N4OS — CID 97199173

IUPAC(2S)-1-(4-methylpiperidin-1-yl)-3-[(3R)-3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol
SMILESCC1CCN(C[C@H](O)CN2CCN(c3nccs3)[C@H](C)C2)CC1
InChIInChI=1S/C17H30N4OS/c1-14-3-6-19(7-4-14)12-16(22)13-20-8-9-21(15(2)11-20)17-18-5-10-23-17/h5,10,14-16,22H,3-4,6-9,11-13H2,1-2H3/t15-,16+/m1/s1
InChIKeyOVIIRCVZMDBWLB-CVEARBPZSA-N
MW338.52 g/mol
LogP1.75
Rot. Bonds5

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

(2S)-1-(4-methylpiperidin-1-yl)-3-[(3R)-3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol (PubChem CID 97199173) has the molecular formula C17H30N4OS and a molecular weight of 338.52 g/mol. Its IUPAC name is (2S)-1-(4-methylpiperidin-1-yl)-3-[(3R)-3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(4-methylpiperidin-1-yl)-3-[(3R)-3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol
PubChem CID97199173
Molecular FormulaC17H30N4OS
Molecular Weight338.52 g/mol
Exact Mass338.21
IUPAC Name(2S)-1-(4-methylpiperidin-1-yl)-3-[(3R)-3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol
SMILESCC1CCN(C[C@H](O)CN2CCN(c3nccs3)[C@H](C)C2)CC1
InChIInChI=1S/C17H30N4OS/c1-14-3-6-19(7-4-14)12-16(22)13-20-8-9-21(15(2)11-20)17-18-5-10-23-17/h5,10,14-16,22H,3-4,6-9,11-13H2,1-2H3/t15-,16+/m1/s1
InChIKeyOVIIRCVZMDBWLB-CVEARBPZSA-N
XLogP1.75
TPSA42.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.52
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-3-phenylmethoxypropan-2-ol
CID 75369876
3-[(3R)-3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]propane-1-sulfonamide
CID 97186451
N-(3-methyl-1,2-oxazol-5-yl)-2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 75369832
2-[(2R)-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperazin-1-yl]-1,3-thiazole
CID 97199197
2-[(2S)-2-methyl-4-[2-[(R)-phenylsulfinyl]ethyl]piperazin-1-yl]-1,3-thiazole
CID 97094600
2-[4-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-2-methylpiperazin-1-yl]-1,3-thiazole
CID 75369822
2-[(3R)-3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 97186385
1-(2,6-dimethylthiomorpholin-4-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 111477005
1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol
CID 60885531
(2R)-1-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 95610494
2-[(2R)-4-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-2-methylpiperazin-1-yl]-1,3-thiazole
CID 97094603
(2S)-1-[4-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol
CID 95327073

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-methylpiperidin-1-yl)-3-[(3R)-3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol?
The IUPAC name of (2S)-1-(4-methylpiperidin-1-yl)-3-[(3R)-3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol (CID 97199173) is (2S)-1-(4-methylpiperidin-1-yl)-3-[(3R)-3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-(4-methylpiperidin-1-yl)-3-[(3R)-3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for (2S)-1-(4-methylpiperidin-1-yl)-3-[(3R)-3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol is CC1CCN(C[C@H](O)CN2CCN(c3nccs3)[C@H](C)C2)CC1.
What is the InChIKey of (2S)-1-(4-methylpiperidin-1-yl)-3-[(3R)-3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol?
The InChIKey is OVIIRCVZMDBWLB-CVEARBPZSA-N. The full InChI is InChI=1S/C17H30N4OS/c1-14-3-6-19(7-4-14)12-16(22)13-20-8-9-21(15(2)11-20)17-18-5-10-23-17/h5,10,14-16,22H,3-4,6-9,11-13H2,1-2H3/t15-,16+/m1/s1.
What are the key properties of (2S)-1-(4-methylpiperidin-1-yl)-3-[(3R)-3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol?
(2S)-1-(4-methylpiperidin-1-yl)-3-[(3R)-3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol has a molecular weight of 338.52 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-methylpiperidin-1-yl)-3-[(3R)-3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 97199173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).