1-[2-[(1-ethylpiperidin-4-yl)methyl]-1,3-thiazol-4-yl]propan-2-amine

C14H25N3S — CID 115088171

IUPAC1-[2-[(1-ethylpiperidin-4-yl)methyl]-1,3-thiazol-4-yl]propan-2-amine
SMILESCCN1CCC(Cc2nc(CC(C)N)cs2)CC1
InChIInChI=1S/C14H25N3S/c1-3-17-6-4-12(5-7-17)9-14-16-13(10-18-14)8-11(2)15/h10-12H,3-9,15H2,1-2H3
InChIKeyHGTRXTPCUAMGGO-UHFFFAOYSA-N
MW267.44 g/mol
LogP2.31
Rot. Bonds5

About 1-[2-[(1-ethylpiperidin-4-yl)methyl]-1,3-thiazol-4-yl]propan-2-amine

1-[2-[(1-ethylpiperidin-4-yl)methyl]-1,3-thiazol-4-yl]propan-2-amine (PubChem CID 115088171) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is 1-[2-[(1-ethylpiperidin-4-yl)methyl]-1,3-thiazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name1-[2-[(1-ethylpiperidin-4-yl)methyl]-1,3-thiazol-4-yl]propan-2-amine
PubChem CID115088171
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC Name1-[2-[(1-ethylpiperidin-4-yl)methyl]-1,3-thiazol-4-yl]propan-2-amine
SMILESCCN1CCC(Cc2nc(CC(C)N)cs2)CC1
InChIInChI=1S/C14H25N3S/c1-3-17-6-4-12(5-7-17)9-14-16-13(10-18-14)8-11(2)15/h10-12H,3-9,15H2,1-2H3
InChIKeyHGTRXTPCUAMGGO-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(oxan-4-ylmethyl)-1,3-thiazol-4-yl]propan-2-amine
CID 115088149
[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-4-yl]methanamine
CID 115087977
1-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-4-yl]-N-methylmethanamine
CID 115087989
1-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]propan-2-amine
CID 115090127
1-[2-(2-morpholin-4-ylethyl)-1,3-thiazol-4-yl]propan-2-amine
CID 115089637
3-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-4-yl]propanoic acid
CID 115088049
1-[2-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazol-4-yl]propan-2-ol
CID 115088635
[2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]methanamine
CID 82515423
3-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazol-4-yl]propan-1-amine
CID 115088031
1-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propan-2-amine
CID 82044404
1-[(4-ethyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine;hydrochloride
CID 120558523
[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]methanamine
CID 115090087

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1-ethylpiperidin-4-yl)methyl]-1,3-thiazol-4-yl]propan-2-amine?
The IUPAC name of 1-[2-[(1-ethylpiperidin-4-yl)methyl]-1,3-thiazol-4-yl]propan-2-amine (CID 115088171) is 1-[2-[(1-ethylpiperidin-4-yl)methyl]-1,3-thiazol-4-yl]propan-2-amine.
What is the SMILES notation for 1-[2-[(1-ethylpiperidin-4-yl)methyl]-1,3-thiazol-4-yl]propan-2-amine?
The canonical SMILES for 1-[2-[(1-ethylpiperidin-4-yl)methyl]-1,3-thiazol-4-yl]propan-2-amine is CCN1CCC(Cc2nc(CC(C)N)cs2)CC1.
What is the InChIKey of 1-[2-[(1-ethylpiperidin-4-yl)methyl]-1,3-thiazol-4-yl]propan-2-amine?
The InChIKey is HGTRXTPCUAMGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-3-17-6-4-12(5-7-17)9-14-16-13(10-18-14)8-11(2)15/h10-12H,3-9,15H2,1-2H3.
What are the key properties of 1-[2-[(1-ethylpiperidin-4-yl)methyl]-1,3-thiazol-4-yl]propan-2-amine?
1-[2-[(1-ethylpiperidin-4-yl)methyl]-1,3-thiazol-4-yl]propan-2-amine has a molecular weight of 267.44 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1-ethylpiperidin-4-yl)methyl]-1,3-thiazol-4-yl]propan-2-amine is sourced from PubChem (CID 115088171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).