1-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-4-yl]ethanamine

C13H23N3S — CID 115087846

IUPAC1-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-4-yl]ethanamine
SMILESCC(N)c1csc(C2CCN(C(C)C)CC2)n1
InChIInChI=1S/C13H23N3S/c1-9(2)16-6-4-11(5-7-16)13-15-12(8-17-13)10(3)14/h8-11H,4-7,14H2,1-3H3
InChIKeyBTOHMWHWALDHSL-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.75
Rot. Bonds3

About 1-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-4-yl]ethanamine

1-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-4-yl]ethanamine (PubChem CID 115087846) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 1-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-4-yl]ethanamine
PubChem CID115087846
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name1-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-4-yl]ethanamine
SMILESCC(N)c1csc(C2CCN(C(C)C)CC2)n1
InChIInChI=1S/C13H23N3S/c1-9(2)16-6-4-11(5-7-16)13-15-12(8-17-13)10(3)14/h8-11H,4-7,14H2,1-3H3
InChIKeyBTOHMWHWALDHSL-UHFFFAOYSA-N
XLogP2.75
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-cyclooctyl-1,3-thiazol-4-yl)ethanamine
CID 80609462
4-methyl-2-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazole
CID 58547619
2-[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-4-yl]propan-1-amine
CID 115087714
2-cyclobutyl-4-(1-piperazin-1-ylethyl)-1,3-thiazole
CID 116891617
1-[2-(1-methylpiperidin-2-yl)-1,3-thiazol-4-yl]ethanamine
CID 115088531
1-[2-(3-ethylcyclohexyl)-1,3-thiazol-4-yl]ethanamine
CID 65415626
3-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-4-yl]propanoic acid
CID 115087902
4-(1-chloroethyl)-2-cyclopropyl-1,3-thiazole
CID 169267593
1-[2-(4-methylthiomorpholin-3-yl)-1,3-thiazol-4-yl]ethanamine
CID 106445606
3-amino-3-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]propanoic acid
CID 116890756
1-[2-(3-methyl-1,4-dithian-2-yl)-1,3-thiazol-4-yl]ethanamine
CID 115388356
N-propan-2-yl-4-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 53016871

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-4-yl]ethanamine?
The IUPAC name of 1-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-4-yl]ethanamine (CID 115087846) is 1-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-4-yl]ethanamine.
What is the SMILES notation for 1-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-4-yl]ethanamine?
The canonical SMILES for 1-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-4-yl]ethanamine is CC(N)c1csc(C2CCN(C(C)C)CC2)n1.
What is the InChIKey of 1-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-4-yl]ethanamine?
The InChIKey is BTOHMWHWALDHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-9(2)16-6-4-11(5-7-16)13-15-12(8-17-13)10(3)14/h8-11H,4-7,14H2,1-3H3.
What are the key properties of 1-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-4-yl]ethanamine?
1-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-4-yl]ethanamine has a molecular weight of 253.41 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-4-yl]ethanamine is sourced from PubChem (CID 115087846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).