2-[4-ethyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]propan-2-amine

C16H29N3S — CID 82430776

IUPAC2-[4-ethyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]propan-2-amine
SMILESCCc1nc(CCN2CCC(C)CC2)sc1C(C)(C)N
InChIInChI=1S/C16H29N3S/c1-5-13-15(16(3,4)17)20-14(18-13)8-11-19-9-6-12(2)7-10-19/h12H,5-11,17H2,1-4H3
InChIKeyUTUQLKOLRXCSEL-UHFFFAOYSA-N
MW295.50 g/mol
LogP3.17
Rot. Bonds5

About 2-[4-ethyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]propan-2-amine

2-[4-ethyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]propan-2-amine (PubChem CID 82430776) has the molecular formula C16H29N3S and a molecular weight of 295.50 g/mol. Its IUPAC name is 2-[4-ethyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]propan-2-amine.

Molecular Properties

Compound Name2-[4-ethyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]propan-2-amine
PubChem CID82430776
Molecular FormulaC16H29N3S
Molecular Weight295.50 g/mol
Exact Mass295.21
IUPAC Name2-[4-ethyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]propan-2-amine
SMILESCCc1nc(CCN2CCC(C)CC2)sc1C(C)(C)N
InChIInChI=1S/C16H29N3S/c1-5-13-15(16(3,4)17)20-14(18-13)8-11-19-9-6-12(2)7-10-19/h12H,5-11,17H2,1-4H3
InChIKeyUTUQLKOLRXCSEL-UHFFFAOYSA-N
XLogP3.17
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.50
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-ethyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]propan-2-amine?
The IUPAC name of 2-[4-ethyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]propan-2-amine (CID 82430776) is 2-[4-ethyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]propan-2-amine.
What is the SMILES notation for 2-[4-ethyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]propan-2-amine?
The canonical SMILES for 2-[4-ethyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]propan-2-amine is CCc1nc(CCN2CCC(C)CC2)sc1C(C)(C)N.
What is the InChIKey of 2-[4-ethyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]propan-2-amine?
The InChIKey is UTUQLKOLRXCSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3S/c1-5-13-15(16(3,4)17)20-14(18-13)8-11-19-9-6-12(2)7-10-19/h12H,5-11,17H2,1-4H3.
What are the key properties of 2-[4-ethyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]propan-2-amine?
2-[4-ethyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]propan-2-amine has a molecular weight of 295.50 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-ethyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]propan-2-amine is sourced from PubChem (CID 82430776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).