N-[1-(1-propylpiperidin-3-yl)ethyl]-1,3-thiazol-2-amine

C13H23N3S — CID 79046499

IUPACN-[1-(1-propylpiperidin-3-yl)ethyl]-1,3-thiazol-2-amine
SMILESCCCN1CCCC(C(C)Nc2nccs2)C1
InChIInChI=1S/C13H23N3S/c1-3-7-16-8-4-5-12(10-16)11(2)15-13-14-6-9-17-13/h6,9,11-12H,3-5,7-8,10H2,1-2H3,(H,14,15)
InChIKeyWEAYERMQHFJJSF-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.07
Rot. Bonds5

About N-[1-(1-propylpiperidin-3-yl)ethyl]-1,3-thiazol-2-amine

N-[1-(1-propylpiperidin-3-yl)ethyl]-1,3-thiazol-2-amine (PubChem CID 79046499) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is N-[1-(1-propylpiperidin-3-yl)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[1-(1-propylpiperidin-3-yl)ethyl]-1,3-thiazol-2-amine
PubChem CID79046499
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC NameN-[1-(1-propylpiperidin-3-yl)ethyl]-1,3-thiazol-2-amine
SMILESCCCN1CCCC(C(C)Nc2nccs2)C1
InChIInChI=1S/C13H23N3S/c1-3-7-16-8-4-5-12(10-16)11(2)15-13-14-6-9-17-13/h6,9,11-12H,3-5,7-8,10H2,1-2H3,(H,14,15)
InChIKeyWEAYERMQHFJJSF-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]pyrazol-4-amine
CID 43534727
1-(1-propylpiperidin-3-yl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 63829149
2-chloro-4-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]pyridin-3-amine
CID 65484329
4-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]pyridin-3-amine
CID 63329410
4-iodo-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline
CID 43308678
2,4,6-trichloro-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline
CID 43308707
6-fluoro-N-[1-(1-propylpiperidin-3-yl)ethyl]pyridin-2-amine
CID 116812757
4-bromo-2,6-dichloro-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline
CID 43308713
2,3-dimethyl-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline
CID 43308056
N-[1-(1-propylpiperidin-3-yl)ethyl]pentan-1-amine
CID 43307476
3-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]butan-2-amine
CID 43308725
2-[4-[1-(1-propylpiperidin-3-yl)ethylamino]phenyl]ethanol
CID 61237330

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-propylpiperidin-3-yl)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[1-(1-propylpiperidin-3-yl)ethyl]-1,3-thiazol-2-amine (CID 79046499) is N-[1-(1-propylpiperidin-3-yl)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[1-(1-propylpiperidin-3-yl)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[1-(1-propylpiperidin-3-yl)ethyl]-1,3-thiazol-2-amine is CCCN1CCCC(C(C)Nc2nccs2)C1.
What is the InChIKey of N-[1-(1-propylpiperidin-3-yl)ethyl]-1,3-thiazol-2-amine?
The InChIKey is WEAYERMQHFJJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-3-7-16-8-4-5-12(10-16)11(2)15-13-14-6-9-17-13/h6,9,11-12H,3-5,7-8,10H2,1-2H3,(H,14,15).
What are the key properties of N-[1-(1-propylpiperidin-3-yl)ethyl]-1,3-thiazol-2-amine?
N-[1-(1-propylpiperidin-3-yl)ethyl]-1,3-thiazol-2-amine has a molecular weight of 253.41 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-propylpiperidin-3-yl)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 79046499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).