ethane;N'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethane-1,2-diamine

C12H24N4S — CID 91531347

IUPACethane;N'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethane-1,2-diamine
SMILESCC.NCCNC1CCN(c2nccs2)CC1
InChIInChI=1S/C10H18N4S.C2H6/c11-3-4-12-9-1-6-14(7-2-9)10-13-5-8-15-10;1-2/h5,8-9,12H,1-4,6-7,11H2;1-2H3
InChIKeyHOVFUCFKZIQMCL-UHFFFAOYSA-N
MW256.42 g/mol
LogP1.69
Rot. Bonds4

About ethane;N'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethane-1,2-diamine

ethane;N'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethane-1,2-diamine (PubChem CID 91531347) has the molecular formula C12H24N4S and a molecular weight of 256.42 g/mol. Its IUPAC name is ethane;N'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethane-1,2-diamine.

Molecular Properties

Compound Nameethane;N'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethane-1,2-diamine
PubChem CID91531347
Molecular FormulaC12H24N4S
Molecular Weight256.42 g/mol
Exact Mass256.17
IUPAC Nameethane;N'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethane-1,2-diamine
SMILESCC.NCCNC1CCN(c2nccs2)CC1
InChIInChI=1S/C10H18N4S.C2H6/c11-3-4-12-9-1-6-14(7-2-9)10-13-5-8-15-10;1-2/h5,8-9,12H,1-4,6-7,11H2;1-2H3
InChIKeyHOVFUCFKZIQMCL-UHFFFAOYSA-N
XLogP1.69
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.42
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]propan-2-ol
CID 103906927
(2S)-1-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]propan-2-ol
CID 103906591
N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propane-1-sulfonamide
CID 90597545
N-(1-methylsulfanylpropan-2-yl)-1-(1,3-thiazol-2-yl)piperidin-4-amine
CID 75501339
ethane;2-pyrrolidin-1-yl-1,3-thiazole
CID 176952882
ethyl 4-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]piperidine-1-carboxylate
CID 75519126
N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-(1,3-thiazol-2-yl)piperidin-4-amine
CID 97348201
N-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]methyl]propan-2-amine
CID 62592830
N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]butane-1-sulfonamide
CID 90597476
4-methyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]thiophene-2-carboxamide
CID 90597173
N-(4-propan-2-yloxycyclohexyl)-1-(1,3-thiazol-2-yl)piperidin-4-amine
CID 84596152
4-phenyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide
CID 90597412

Frequently Asked Questions

What is the IUPAC name of ethane;N'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethane-1,2-diamine?
The IUPAC name of ethane;N'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethane-1,2-diamine (CID 91531347) is ethane;N'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethane-1,2-diamine.
What is the SMILES notation for ethane;N'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethane-1,2-diamine?
The canonical SMILES for ethane;N'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethane-1,2-diamine is CC.NCCNC1CCN(c2nccs2)CC1.
What is the InChIKey of ethane;N'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethane-1,2-diamine?
The InChIKey is HOVFUCFKZIQMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S.C2H6/c11-3-4-12-9-1-6-14(7-2-9)10-13-5-8-15-10;1-2/h5,8-9,12H,1-4,6-7,11H2;1-2H3.
What are the key properties of ethane;N'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethane-1,2-diamine?
ethane;N'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethane-1,2-diamine has a molecular weight of 256.42 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethane-1,2-diamine is sourced from PubChem (CID 91531347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).