N-ethyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidin-4-amine

C13H23N3S — CID 63242491

IUPACN-ethyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidin-4-amine
SMILESCCNC1CCN(CCc2nc(C)cs2)CC1
InChIInChI=1S/C13H23N3S/c1-3-14-12-4-7-16(8-5-12)9-6-13-15-11(2)10-17-13/h10,12,14H,3-9H2,1-2H3
InChIKeyCPJTWGFWEHTZPR-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.07
Rot. Bonds5

About N-ethyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidin-4-amine

N-ethyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidin-4-amine (PubChem CID 63242491) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is N-ethyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidin-4-amine.

Molecular Properties

Compound NameN-ethyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidin-4-amine
PubChem CID63242491
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC NameN-ethyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidin-4-amine
SMILESCCNC1CCN(CCc2nc(C)cs2)CC1
InChIInChI=1S/C13H23N3S/c1-3-14-12-4-7-16(8-5-12)9-6-13-15-11(2)10-17-13/h10,12,14H,3-9H2,1-2H3
InChIKeyCPJTWGFWEHTZPR-UHFFFAOYSA-N
XLogP2.07
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 63238545
N,3-dimethyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidin-4-amine
CID 63242579
N-ethyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-4-amine
CID 106418172
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-propan-2-ylpiperidin-4-amine
CID 63238570
1-(3-methylbut-2-enyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
CID 54912882
2-methyl-1-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-3-(1-propylpiperidin-4-yl)guanidine
CID 111019099
N-ethyl-1-(2-thiophen-3-ylethyl)piperidin-4-amine
CID 61474587
N-ethyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine
CID 114186320
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidin-4-amine
CID 63239020
4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]cyclohexan-1-ol
CID 106594624
N-ethyl-1-(2-pyrrolidin-1-ylethyl)piperidin-4-amine
CID 107910858
N,2,3-trimethyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidin-4-amine
CID 79406895

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidin-4-amine?
The IUPAC name of N-ethyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidin-4-amine (CID 63242491) is N-ethyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidin-4-amine.
What is the SMILES notation for N-ethyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidin-4-amine?
The canonical SMILES for N-ethyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidin-4-amine is CCNC1CCN(CCc2nc(C)cs2)CC1.
What is the InChIKey of N-ethyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidin-4-amine?
The InChIKey is CPJTWGFWEHTZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-3-14-12-4-7-16(8-5-12)9-6-13-15-11(2)10-17-13/h10,12,14H,3-9H2,1-2H3.
What are the key properties of N-ethyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidin-4-amine?
N-ethyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidin-4-amine has a molecular weight of 253.41 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 63242491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).