5-[[(1,4-dimethylpiperidin-4-yl)methylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine

C16H30N4S — CID 103992131

IUPAC5-[[(1,4-dimethylpiperidin-4-yl)methylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine
SMILESCCN(CC)c1ncc(CNCC2(C)CCN(C)CC2)s1
InChIInChI=1S/C16H30N4S/c1-5-20(6-2)15-18-12-14(21-15)11-17-13-16(3)7-9-19(4)10-8-16/h12,17H,5-11,13H2,1-4H3
InChIKeyWUJSJQHJXPKLQK-UHFFFAOYSA-N
MW310.51 g/mol
LogP2.81
Rot. Bonds7

About 5-[[(1,4-dimethylpiperidin-4-yl)methylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine

5-[[(1,4-dimethylpiperidin-4-yl)methylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine (PubChem CID 103992131) has the molecular formula C16H30N4S and a molecular weight of 310.51 g/mol. Its IUPAC name is 5-[[(1,4-dimethylpiperidin-4-yl)methylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[(1,4-dimethylpiperidin-4-yl)methylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine
PubChem CID103992131
Molecular FormulaC16H30N4S
Molecular Weight310.51 g/mol
Exact Mass310.22
IUPAC Name5-[[(1,4-dimethylpiperidin-4-yl)methylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine
SMILESCCN(CC)c1ncc(CNCC2(C)CCN(C)CC2)s1
InChIInChI=1S/C16H30N4S/c1-5-20(6-2)15-18-12-14(21-15)11-17-13-16(3)7-9-19(4)10-8-16/h12,17H,5-11,13H2,1-4H3
InChIKeyWUJSJQHJXPKLQK-UHFFFAOYSA-N
XLogP2.81
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[[(1,4-dimethylpiperidin-4-yl)methylamino]methyl]-N,N-diethyl-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

N,N-diethyl-5-[[(1-methylcyclobutyl)methylamino]methyl]-1,3-thiazol-2-amine
CID 103735792
N,N-diethyl-5-[[(1-methylcyclopentyl)methylamino]methyl]-1,3-thiazol-2-amine
CID 55261395
5-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-N,N-diethyl-1,3-thiazol-2-amine
CID 120780538
1-(2-ethyl-1,3-thiazol-5-yl)-N-[(1-methylcyclohexyl)methyl]methanamine
CID 113255341
N,N-diethyl-5-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1,3-thiazol-2-amine
CID 61282763
1-(5-chloro-1,3-thiazol-2-yl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine
CID 104879601
1-[[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]methyl]-3-methylcyclohexan-1-ol
CID 63931859
N,N-diethyl-5-[[(1-methylpiperidin-3-yl)amino]methyl]-1,3-thiazol-2-amine
CID 61211415
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-thiophen-2-ylmethanamine
CID 103992175
N,N-diethyl-5-[[(5-methyl-1,3-thiazol-2-yl)methylamino]methyl]-1,3-thiazol-2-amine
CID 103700618
2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-N-ethylacetamide
CID 43777703
N,N-diethyl-5-[(furan-3-ylmethylamino)methyl]-1,3-thiazol-2-amine
CID 115595001

Frequently Asked Questions

What is the IUPAC name of 5-[[(1,4-dimethylpiperidin-4-yl)methylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[[(1,4-dimethylpiperidin-4-yl)methylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine (CID 103992131) is 5-[[(1,4-dimethylpiperidin-4-yl)methylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[(1,4-dimethylpiperidin-4-yl)methylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[(1,4-dimethylpiperidin-4-yl)methylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine is CCN(CC)c1ncc(CNCC2(C)CCN(C)CC2)s1.
What is the InChIKey of 5-[[(1,4-dimethylpiperidin-4-yl)methylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine?
The InChIKey is WUJSJQHJXPKLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4S/c1-5-20(6-2)15-18-12-14(21-15)11-17-13-16(3)7-9-19(4)10-8-16/h12,17H,5-11,13H2,1-4H3.
What are the key properties of 5-[[(1,4-dimethylpiperidin-4-yl)methylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine?
5-[[(1,4-dimethylpiperidin-4-yl)methylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine has a molecular weight of 310.51 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1,4-dimethylpiperidin-4-yl)methylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 103992131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).