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

C10H18N4S — CID 18727065

IUPACN'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethane-1,2-diamine
SMILESNCCNC1CCN(c2nccs2)CC1
InChIInChI=1S/C10H18N4S/c11-3-4-12-9-1-6-14(7-2-9)10-13-5-8-15-10/h5,8-9,12H,1-4,6-7,11H2
InChIKeyDYKGFYZSLFPLRY-UHFFFAOYSA-N
MW226.35 g/mol
LogP0.66
Rot. Bonds4

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

N'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethane-1,2-diamine (PubChem CID 18727065) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is N'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethane-1,2-diamine
PubChem CID18727065
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC NameN'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethane-1,2-diamine
SMILESNCCNC1CCN(c2nccs2)CC1
InChIInChI=1S/C10H18N4S/c11-3-4-12-9-1-6-14(7-2-9)10-13-5-8-15-10/h5,8-9,12H,1-4,6-7,11H2
InChIKeyDYKGFYZSLFPLRY-UHFFFAOYSA-N
XLogP0.66
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethane-1,2-diamine?
The IUPAC name of N'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethane-1,2-diamine (CID 18727065) is N'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethane-1,2-diamine is NCCNC1CCN(c2nccs2)CC1.
What is the InChIKey of N'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethane-1,2-diamine?
The InChIKey is DYKGFYZSLFPLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c11-3-4-12-9-1-6-14(7-2-9)10-13-5-8-15-10/h5,8-9,12H,1-4,6-7,11H2.
What are the key properties of N'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethane-1,2-diamine?
N'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethane-1,2-diamine has a molecular weight of 226.35 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethane-1,2-diamine is sourced from PubChem (CID 18727065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).