5-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-N,N-diethyl-1,3-thiazol-2-amine

C14H26N4S — CID 120780538

IUPAC5-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-N,N-diethyl-1,3-thiazol-2-amine
SMILESCCN(CC)c1ncc(CN2CCC(C)(CN)C2)s1
InChIInChI=1S/C14H26N4S/c1-4-18(5-2)13-16-8-12(19-13)9-17-7-6-14(3,10-15)11-17/h8H,4-7,9-11,15H2,1-3H3
InChIKeyFIHUIUTWZOIAMT-UHFFFAOYSA-N
MW282.46 g/mol
LogP2.16
Rot. Bonds6

About 5-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-N,N-diethyl-1,3-thiazol-2-amine

5-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-N,N-diethyl-1,3-thiazol-2-amine (PubChem CID 120780538) has the molecular formula C14H26N4S and a molecular weight of 282.46 g/mol. Its IUPAC name is 5-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-N,N-diethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-N,N-diethyl-1,3-thiazol-2-amine
PubChem CID120780538
Molecular FormulaC14H26N4S
Molecular Weight282.46 g/mol
Exact Mass282.19
IUPAC Name5-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-N,N-diethyl-1,3-thiazol-2-amine
SMILESCCN(CC)c1ncc(CN2CCC(C)(CN)C2)s1
InChIInChI=1S/C14H26N4S/c1-4-18(5-2)13-16-8-12(19-13)9-17-7-6-14(3,10-15)11-17/h8H,4-7,9-11,15H2,1-3H3
InChIKeyFIHUIUTWZOIAMT-UHFFFAOYSA-N
XLogP2.16
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.46
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[(1,4-dimethylpiperidin-4-yl)methylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine
CID 103992131
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
[3-methyl-1-[[2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-yl]methanamine
CID 120781234
(2R)-4-[[2-(diethylamino)-1,3-thiazol-5-yl]methyl]-N,N,2-trimethylmorpholine-2-carboxamide
CID 92632641
[3-methyl-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methanamine
CID 120781039
5-(aminomethyl)-N,N-diethyl-1,3-thiazol-2-amine
CID 18801628
5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120899612
5-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-N,N-dimethyl-1,3-thiazol-2-amine
CID 120782171
2-chloro-5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1,3-thiazole
CID 79764716
[1-[(4-chlorothiophen-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120846916
[1-[(1-ethylpyrazol-4-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120780625

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-N,N-diethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-N,N-diethyl-1,3-thiazol-2-amine (CID 120780538) is 5-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-N,N-diethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-N,N-diethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-N,N-diethyl-1,3-thiazol-2-amine is CCN(CC)c1ncc(CN2CCC(C)(CN)C2)s1.
What is the InChIKey of 5-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-N,N-diethyl-1,3-thiazol-2-amine?
The InChIKey is FIHUIUTWZOIAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4S/c1-4-18(5-2)13-16-8-12(19-13)9-17-7-6-14(3,10-15)11-17/h8H,4-7,9-11,15H2,1-3H3.
What are the key properties of 5-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-N,N-diethyl-1,3-thiazol-2-amine?
5-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-N,N-diethyl-1,3-thiazol-2-amine has a molecular weight of 282.46 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-N,N-diethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 120780538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).