1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol

C10H17N3OS — CID 60885531

IUPAC1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol
SMILESCC(O)CN1CCN(c2nccs2)CC1
InChIInChI=1S/C10H17N3OS/c1-9(14)8-12-3-5-13(6-4-12)10-11-2-7-15-10/h2,7,9,14H,3-6,8H2,1H3
InChIKeyXVBISRLVEKOFQP-UHFFFAOYSA-N
MW227.33 g/mol
LogP0.65
Rot. Bonds3

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

1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol (PubChem CID 60885531) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol
PubChem CID60885531
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol
SMILESCC(O)CN1CCN(c2nccs2)CC1
InChIInChI=1S/C10H17N3OS/c1-9(14)8-12-3-5-13(6-4-12)10-11-2-7-15-10/h2,7,9,14H,3-6,8H2,1H3
InChIKeyXVBISRLVEKOFQP-UHFFFAOYSA-N
XLogP0.65
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-propan-2-yl-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-amine
CID 62425655
2-ethoxy-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanoic acid
CID 63067892
1-(4-methylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanamine
CID 106313009
3,3,3-trifluoro-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]propanoic acid
CID 80996624
2-[4-(2-bromoethyl)piperazin-1-yl]-1,3-thiazole
CID 61288747
(2S)-1-[4-[5-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]pyrazin-2-yl]piperazin-1-yl]propan-2-ol
CID 136583777
2-[4-(3-chloropropyl)piperazin-1-yl]-1,3-thiazole
CID 15743929
(2R)-1-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]propan-2-ol
CID 103906927
2,2-dimethyl-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanoic acid
CID 62270105
(2S)-1-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]propan-2-ol
CID 103906591
ethane;2-pyrrolidin-1-yl-1,3-thiazole
CID 176952882
2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
CID 18136601

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol (CID 60885531) is 1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol is CC(O)CN1CCN(c2nccs2)CC1.
What is the InChIKey of 1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol?
The InChIKey is XVBISRLVEKOFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-9(14)8-12-3-5-13(6-4-12)10-11-2-7-15-10/h2,7,9,14H,3-6,8H2,1H3.
What are the key properties of 1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol?
1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol has a molecular weight of 227.33 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 60885531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).