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

C15H27N3S — CID 82430560

IUPAC2-[4-ethyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-amine
SMILESCCc1nc(CN2CCC(C)CC2)sc1C(C)(C)N
InChIInChI=1S/C15H27N3S/c1-5-12-14(15(3,4)16)19-13(17-12)10-18-8-6-11(2)7-9-18/h11H,5-10,16H2,1-4H3
InChIKeyJHMXSPNONRDCIP-UHFFFAOYSA-N
MW281.47 g/mol
LogP3.13
Rot. Bonds4

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

2-[4-ethyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-amine (PubChem CID 82430560) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is 2-[4-ethyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-amine.

Molecular Properties

Compound Name2-[4-ethyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-amine
PubChem CID82430560
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC Name2-[4-ethyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-amine
SMILESCCc1nc(CN2CCC(C)CC2)sc1C(C)(C)N
InChIInChI=1S/C15H27N3S/c1-5-12-14(15(3,4)16)19-13(17-12)10-18-8-6-11(2)7-9-18/h11H,5-10,16H2,1-4H3
InChIKeyJHMXSPNONRDCIP-UHFFFAOYSA-N
XLogP3.13
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-ethyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]propan-2-amine
CID 82430776
2-[4-methyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-amine
CID 82427520
2-[4-tert-butyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-amine
CID 82439448
2-[4-ethyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-ol
CID 82430536
2-[4-methyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-ol
CID 82427519
1-[2-[(4-methylpiperidin-1-yl)methyl]-4-propyl-1,3-thiazol-5-yl]ethanamine
CID 82433019
2-[2-ethyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]acetic acid
CID 82069204
2-[2-[(2-methylpiperidin-1-yl)methyl]-4-propyl-1,3-thiazol-5-yl]propan-2-amine
CID 82432975
[4-(methoxymethyl)-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanamine
CID 82441546
2-[2-[(3-methylpiperidin-1-yl)methyl]-4-propyl-1,3-thiazol-5-yl]propan-2-ol
CID 82432994
[4-methyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanamine
CID 82427518
4-methyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole-5-carboximidamide
CID 82427514

Frequently Asked Questions

What is the IUPAC name of 2-[4-ethyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-amine?
The IUPAC name of 2-[4-ethyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-amine (CID 82430560) is 2-[4-ethyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-amine.
What is the SMILES notation for 2-[4-ethyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-amine?
The canonical SMILES for 2-[4-ethyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-amine is CCc1nc(CN2CCC(C)CC2)sc1C(C)(C)N.
What is the InChIKey of 2-[4-ethyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-amine?
The InChIKey is JHMXSPNONRDCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-5-12-14(15(3,4)16)19-13(17-12)10-18-8-6-11(2)7-9-18/h11H,5-10,16H2,1-4H3.
What are the key properties of 2-[4-ethyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-amine?
2-[4-ethyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-amine has a molecular weight of 281.47 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-ethyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-amine is sourced from PubChem (CID 82430560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).