1-[1-[(4-propyl-1,3-thiazol-2-yl)methyl]piperidin-2-yl]ethanamine

C14H25N3S — CID 120897022

IUPAC1-[1-[(4-propyl-1,3-thiazol-2-yl)methyl]piperidin-2-yl]ethanamine
SMILESCCCc1csc(CN2CCCCC2C(C)N)n1
InChIInChI=1S/C14H25N3S/c1-3-6-12-10-18-14(16-12)9-17-8-5-4-7-13(17)11(2)15/h10-11,13H,3-9,15H2,1-2H3
InChIKeyHWEFCQHXKRRDDE-UHFFFAOYSA-N
MW267.44 g/mol
LogP2.80
Rot. Bonds5

About 1-[1-[(4-propyl-1,3-thiazol-2-yl)methyl]piperidin-2-yl]ethanamine

1-[1-[(4-propyl-1,3-thiazol-2-yl)methyl]piperidin-2-yl]ethanamine (PubChem CID 120897022) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is 1-[1-[(4-propyl-1,3-thiazol-2-yl)methyl]piperidin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[(4-propyl-1,3-thiazol-2-yl)methyl]piperidin-2-yl]ethanamine
PubChem CID120897022
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC Name1-[1-[(4-propyl-1,3-thiazol-2-yl)methyl]piperidin-2-yl]ethanamine
SMILESCCCc1csc(CN2CCCCC2C(C)N)n1
InChIInChI=1S/C14H25N3S/c1-3-6-12-10-18-14(16-12)9-17-8-5-4-7-13(17)11(2)15/h10-11,13H,3-9,15H2,1-2H3
InChIKeyHWEFCQHXKRRDDE-UHFFFAOYSA-N
XLogP2.80
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-propyl-1,3-thiazol-2-yl)methyl]piperidin-2-yl]ethanamine?
The IUPAC name of 1-[1-[(4-propyl-1,3-thiazol-2-yl)methyl]piperidin-2-yl]ethanamine (CID 120897022) is 1-[1-[(4-propyl-1,3-thiazol-2-yl)methyl]piperidin-2-yl]ethanamine.
What is the SMILES notation for 1-[1-[(4-propyl-1,3-thiazol-2-yl)methyl]piperidin-2-yl]ethanamine?
The canonical SMILES for 1-[1-[(4-propyl-1,3-thiazol-2-yl)methyl]piperidin-2-yl]ethanamine is CCCc1csc(CN2CCCCC2C(C)N)n1.
What is the InChIKey of 1-[1-[(4-propyl-1,3-thiazol-2-yl)methyl]piperidin-2-yl]ethanamine?
The InChIKey is HWEFCQHXKRRDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-3-6-12-10-18-14(16-12)9-17-8-5-4-7-13(17)11(2)15/h10-11,13H,3-9,15H2,1-2H3.
What are the key properties of 1-[1-[(4-propyl-1,3-thiazol-2-yl)methyl]piperidin-2-yl]ethanamine?
1-[1-[(4-propyl-1,3-thiazol-2-yl)methyl]piperidin-2-yl]ethanamine has a molecular weight of 267.44 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-propyl-1,3-thiazol-2-yl)methyl]piperidin-2-yl]ethanamine is sourced from PubChem (CID 120897022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).