5-methyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine

C13H23N3S — CID 79994218

IUPAC5-methyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine
SMILESCCCc1nc(CN2CC(C)CC(N)C2)cs1
InChIInChI=1S/C13H23N3S/c1-3-4-13-15-12(9-17-13)8-16-6-10(2)5-11(14)7-16/h9-11H,3-8,14H2,1-2H3
InChIKeyIJCVAXVJHWEOTI-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.26
Rot. Bonds4

About 5-methyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine

5-methyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine (PubChem CID 79994218) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 5-methyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine.

Molecular Properties

Compound Name5-methyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine
PubChem CID79994218
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name5-methyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine
SMILESCCCc1nc(CN2CC(C)CC(N)C2)cs1
InChIInChI=1S/C13H23N3S/c1-3-4-13-15-12(9-17-13)8-16-6-10(2)5-11(14)7-16/h9-11H,3-8,14H2,1-2H3
InChIKeyIJCVAXVJHWEOTI-UHFFFAOYSA-N
XLogP2.26
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine
CID 79986577
4-[(3,5-dimethylpiperazin-1-yl)methyl]-2-propyl-1,3-thiazole
CID 63874067
1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
CID 43556699
1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine;dihydrochloride
CID 119910148
5-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine
CID 79992782
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 55070041
(3S,4R)-4-phenyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 120761556
1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethanamine;dihydrochloride
CID 119920780
5-methyl-1-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]piperidine-3-carboxylic acid
CID 122120995
N-methyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine
CID 62545261
1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]ethanol
CID 112628440
N-methyl-1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanamine;dihydrochloride
CID 119922529

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine?
The IUPAC name of 5-methyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine (CID 79994218) is 5-methyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine.
What is the SMILES notation for 5-methyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine?
The canonical SMILES for 5-methyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine is CCCc1nc(CN2CC(C)CC(N)C2)cs1.
What is the InChIKey of 5-methyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine?
The InChIKey is IJCVAXVJHWEOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-3-4-13-15-12(9-17-13)8-16-6-10(2)5-11(14)7-16/h9-11H,3-8,14H2,1-2H3.
What are the key properties of 5-methyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine?
5-methyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine has a molecular weight of 253.41 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine is sourced from PubChem (CID 79994218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).