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

C12H21N3S — CID 57394135

IUPACN-[2-(3,3-dimethylpiperidin-1-yl)ethyl]-1,3-thiazol-2-amine
SMILESCC1(C)CCCN(CCNc2nccs2)C1
InChIInChI=1S/C12H21N3S/c1-12(2)4-3-7-15(10-12)8-5-13-11-14-6-9-16-11/h6,9H,3-5,7-8,10H2,1-2H3,(H,13,14)
InChIKeyLTXRNGCCLHOAEL-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.68
Rot. Bonds4

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

N-[2-(3,3-dimethylpiperidin-1-yl)ethyl]-1,3-thiazol-2-amine (PubChem CID 57394135) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is N-[2-(3,3-dimethylpiperidin-1-yl)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-(3,3-dimethylpiperidin-1-yl)ethyl]-1,3-thiazol-2-amine
PubChem CID57394135
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC NameN-[2-(3,3-dimethylpiperidin-1-yl)ethyl]-1,3-thiazol-2-amine
SMILESCC1(C)CCCN(CCNc2nccs2)C1
InChIInChI=1S/C12H21N3S/c1-12(2)4-3-7-15(10-12)8-5-13-11-14-6-9-16-11/h6,9H,3-5,7-8,10H2,1-2H3,(H,13,14)
InChIKeyLTXRNGCCLHOAEL-UHFFFAOYSA-N
XLogP2.68
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(3,3-dimethylpiperidin-1-yl)ethyl]-1,3-thiazol-2-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

2-(4-methylpiperidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 2976467
N-[2-(3,3-dimethylpiperidin-1-yl)ethyl]-1,3-thiazol-2-amine;hydrochloride
CID 57394134
1-[2-(1-Piperidyl)ethyl]-3-thiazol-2-yl-thiourea
CID 3003035
1-(Thiazol-2-yl)piperazine
CID 911806
1-(1,3-Thiazol-2-yl)piperazine--hydrogen chloride (1/1)
CID 23467106
N-(1,3-thiazol-2-yl)piperidin-4-amine
CID 43345808
1-(1,3-Thiazol-2-yl)piperidin-4-amine
CID 43430566
[1-(1,3-Thiazol-2-yl)piperidin-3-yl]methanamine
CID 61797814
1-(1,3-Thiazol-2-yl)piperidine
CID 15110477
N-[(3S)-3-(4-methylpiperazin-1-yl)butyl]-1,3-thiazol-2-amine
CID 125526772
N-[4-[(dimethylamino)methyl]cyclohexyl]-1-(1,3-thiazol-2-yl)piperidin-4-amine
CID 138042313
trans-(1S,2S)-1-N,1-N-dimethyl-2-N-(1,3-thiazol-2-yl)cyclopentane-1,2-diamine
CID 164633102

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,3-dimethylpiperidin-1-yl)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[2-(3,3-dimethylpiperidin-1-yl)ethyl]-1,3-thiazol-2-amine (CID 57394135) is N-[2-(3,3-dimethylpiperidin-1-yl)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-(3,3-dimethylpiperidin-1-yl)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-(3,3-dimethylpiperidin-1-yl)ethyl]-1,3-thiazol-2-amine is CC1(C)CCCN(CCNc2nccs2)C1.
What is the InChIKey of N-[2-(3,3-dimethylpiperidin-1-yl)ethyl]-1,3-thiazol-2-amine?
The InChIKey is LTXRNGCCLHOAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-12(2)4-3-7-15(10-12)8-5-13-11-14-6-9-16-11/h6,9H,3-5,7-8,10H2,1-2H3,(H,13,14).
What are the key properties of N-[2-(3,3-dimethylpiperidin-1-yl)ethyl]-1,3-thiazol-2-amine?
N-[2-(3,3-dimethylpiperidin-1-yl)ethyl]-1,3-thiazol-2-amine has a molecular weight of 239.39 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,3-dimethylpiperidin-1-yl)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 57394135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).