1-[5-(ethylaminomethyl)-4-methyl-1,3-thiazol-2-yl]-N,N-dimethylpyrrolidin-3-amine

C13H24N4S — CID 63518353

IUPAC1-[5-(ethylaminomethyl)-4-methyl-1,3-thiazol-2-yl]-N,N-dimethylpyrrolidin-3-amine
SMILESCCNCc1sc(N2CCC(N(C)C)C2)nc1C
InChIInChI=1S/C13H24N4S/c1-5-14-8-12-10(2)15-13(18-12)17-7-6-11(9-17)16(3)4/h11,14H,5-9H2,1-4H3
InChIKeyPXLJPGMOHQBHMZ-UHFFFAOYSA-N
MW268.43 g/mol
LogP1.70
Rot. Bonds5

About 1-[5-(ethylaminomethyl)-4-methyl-1,3-thiazol-2-yl]-N,N-dimethylpyrrolidin-3-amine

1-[5-(ethylaminomethyl)-4-methyl-1,3-thiazol-2-yl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 63518353) has the molecular formula C13H24N4S and a molecular weight of 268.43 g/mol. Its IUPAC name is 1-[5-(ethylaminomethyl)-4-methyl-1,3-thiazol-2-yl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[5-(ethylaminomethyl)-4-methyl-1,3-thiazol-2-yl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID63518353
Molecular FormulaC13H24N4S
Molecular Weight268.43 g/mol
Exact Mass268.17
IUPAC Name1-[5-(ethylaminomethyl)-4-methyl-1,3-thiazol-2-yl]-N,N-dimethylpyrrolidin-3-amine
SMILESCCNCc1sc(N2CCC(N(C)C)C2)nc1C
InChIInChI=1S/C13H24N4S/c1-5-14-8-12-10(2)15-13(18-12)17-7-6-11(9-17)16(3)4/h11,14H,5-9H2,1-4H3
InChIKeyPXLJPGMOHQBHMZ-UHFFFAOYSA-N
XLogP1.70
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(ethylaminomethyl)-4-propan-2-yl-1,3-thiazol-2-yl]-N,N-dimethylpyrrolidin-3-amine
CID 79392943
1-[5-[(2-methoxyethylamino)methyl]-4-methyl-1,3-thiazol-2-yl]-N,N-dimethylpyrrolidin-3-amine
CID 63518702
1-[5-(ethylaminomethyl)-4-(methoxymethyl)-1,3-thiazol-2-yl]-N,N-dimethylpyrrolidin-3-amine
CID 107510353
1-[5-(ethylaminomethyl)-4-propan-2-yl-1,3-thiazol-2-yl]-N,N-dimethylpiperidin-3-amine
CID 79382946
N-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methyl]ethanamine
CID 46785724
N-[[2-(4-ethyl-3-methylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 55215655
N-[[4-methyl-2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 62766055
2-[3-(dimethylamino)pyrrolidin-1-yl]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 63514095
N-[[4-ethyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 63519927
N-[[4-methyl-2-(3-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 62768888
1-[4-(ethylaminomethyl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
CID 63169357
N,N-dimethyl-1-[1-[4-methyl-5-(methylaminomethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methanamine
CID 62767701

Frequently Asked Questions

What is the IUPAC name of 1-[5-(ethylaminomethyl)-4-methyl-1,3-thiazol-2-yl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-[5-(ethylaminomethyl)-4-methyl-1,3-thiazol-2-yl]-N,N-dimethylpyrrolidin-3-amine (CID 63518353) is 1-[5-(ethylaminomethyl)-4-methyl-1,3-thiazol-2-yl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[5-(ethylaminomethyl)-4-methyl-1,3-thiazol-2-yl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[5-(ethylaminomethyl)-4-methyl-1,3-thiazol-2-yl]-N,N-dimethylpyrrolidin-3-amine is CCNCc1sc(N2CCC(N(C)C)C2)nc1C.
What is the InChIKey of 1-[5-(ethylaminomethyl)-4-methyl-1,3-thiazol-2-yl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is PXLJPGMOHQBHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4S/c1-5-14-8-12-10(2)15-13(18-12)17-7-6-11(9-17)16(3)4/h11,14H,5-9H2,1-4H3.
What are the key properties of 1-[5-(ethylaminomethyl)-4-methyl-1,3-thiazol-2-yl]-N,N-dimethylpyrrolidin-3-amine?
1-[5-(ethylaminomethyl)-4-methyl-1,3-thiazol-2-yl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 268.43 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(ethylaminomethyl)-4-methyl-1,3-thiazol-2-yl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 63518353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).