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

C13H23N3S — CID 62545261

IUPACN-methyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine
SMILESCCCc1nc(CN2CCCC(NC)C2)cs1
InChIInChI=1S/C13H23N3S/c1-3-5-13-15-12(10-17-13)9-16-7-4-6-11(8-16)14-2/h10-11,14H,3-9H2,1-2H3
InChIKeyIAOXJTGLPFZAIS-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.28
Rot. Bonds5

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

N-methyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine (PubChem CID 62545261) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is N-methyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine
PubChem CID62545261
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC NameN-methyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine
SMILESCCCc1nc(CN2CCCC(NC)C2)cs1
InChIInChI=1S/C13H23N3S/c1-3-5-13-15-12(10-17-13)9-16-7-4-6-11(8-16)14-2/h10-11,14H,3-9H2,1-2H3
InChIKeyIAOXJTGLPFZAIS-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-1-[(4-propyl-1,3-thiazol-2-yl)methyl]piperidin-3-amine;hydrochloride
CID 120838062
N-methyl-1-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]piperidin-3-amine;dihydrochloride
CID 119918423
1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine;dihydrochloride
CID 119910148
N-[[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methyl]cyclopropanamine
CID 63849685
N-[(3R)-1-[(2-butyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanesulfonamide
CID 94825826
1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxylic acid
CID 43440901
N-[[4-[[3-(methylamino)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]methyl]benzamide
CID 119918242
2-[[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methylamino]acetic acid
CID 106814013
N-(2-aminoethyl)-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide
CID 63252759
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
1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
CID 43556699

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine?
The IUPAC name of N-methyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine (CID 62545261) is N-methyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine.
What is the SMILES notation for N-methyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine?
The canonical SMILES for N-methyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine is CCCc1nc(CN2CCCC(NC)C2)cs1.
What is the InChIKey of N-methyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine?
The InChIKey is IAOXJTGLPFZAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-3-5-13-15-12(10-17-13)9-16-7-4-6-11(8-16)14-2/h10-11,14H,3-9H2,1-2H3.
What are the key properties of N-methyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine?
N-methyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine has a molecular weight of 253.41 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine is sourced from PubChem (CID 62545261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).