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

C12H23Cl2N3S — CID 119910148

IUPAC1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine;dihydrochloride
SMILESCCCc1nc(CN2CCCC(N)C2)cs1.Cl.Cl
InChIInChI=1S/C12H21N3S.2ClH/c1-2-4-12-14-11(9-16-12)8-15-6-3-5-10(13)7-15;;/h9-10H,2-8,13H2,1H3;2*1H
InChIKeyQEMLYLNMDJCYPO-UHFFFAOYSA-N
MW312.31 g/mol
LogP2.86
Rot. Bonds4

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

1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine;dihydrochloride (PubChem CID 119910148) has the molecular formula C12H23Cl2N3S and a molecular weight of 312.31 g/mol. Its IUPAC name is 1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine;dihydrochloride.

Molecular Properties

Compound Name1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine;dihydrochloride
PubChem CID119910148
Molecular FormulaC12H23Cl2N3S
Molecular Weight312.31 g/mol
Exact Mass311.10
IUPAC Name1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine;dihydrochloride
SMILESCCCc1nc(CN2CCCC(N)C2)cs1.Cl.Cl
InChIInChI=1S/C12H21N3S.2ClH/c1-2-4-12-14-11(9-16-12)8-15-6-3-5-10(13)7-15;;/h9-10H,2-8,13H2,1H3;2*1H
InChIKeyQEMLYLNMDJCYPO-UHFFFAOYSA-N
XLogP2.86
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.31
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
CID 43556699
N-methyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine
CID 62545261
N-[[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methyl]cyclopropanamine
CID 63849685
1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxylic acid
CID 43440901
5-methyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine
CID 79994218
1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethanamine;dihydrochloride
CID 119920780
2-[[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methylamino]acetic acid
CID 106814013
2-[1-[(4-propyl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120846302
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
N-methyl-1-[(4-propyl-1,3-thiazol-2-yl)methyl]piperidin-3-amine;hydrochloride
CID 120838062

Frequently Asked Questions

What is the IUPAC name of 1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine;dihydrochloride?
The IUPAC name of 1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine;dihydrochloride (CID 119910148) is 1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine;dihydrochloride.
What is the SMILES notation for 1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine;dihydrochloride?
The canonical SMILES for 1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine;dihydrochloride is CCCc1nc(CN2CCCC(N)C2)cs1.Cl.Cl.
What is the InChIKey of 1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine;dihydrochloride?
The InChIKey is QEMLYLNMDJCYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S.2ClH/c1-2-4-12-14-11(9-16-12)8-15-6-3-5-10(13)7-15;;/h9-10H,2-8,13H2,1H3;2*1H.
What are the key properties of 1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine;dihydrochloride?
1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine;dihydrochloride has a molecular weight of 312.31 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine;dihydrochloride is sourced from PubChem (CID 119910148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).