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

C12H21N3S — CID 115724910

IUPACN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,5-dimethylpyrrolidin-3-amine
SMILESCCc1cnc(CNC2CC(C)N(C)C2)s1
InChIInChI=1S/C12H21N3S/c1-4-11-6-14-12(16-11)7-13-10-5-9(2)15(3)8-10/h6,9-10,13H,4-5,7-8H2,1-3H3
InChIKeyBEPVXKZWNNAPDO-UHFFFAOYSA-N
MW239.39 g/mol
LogP1.89
Rot. Bonds4

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

N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,5-dimethylpyrrolidin-3-amine (PubChem CID 115724910) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,5-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,5-dimethylpyrrolidin-3-amine
PubChem CID115724910
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC NameN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,5-dimethylpyrrolidin-3-amine
SMILESCCc1cnc(CNC2CC(C)N(C)C2)s1
InChIInChI=1S/C12H21N3S/c1-4-11-6-14-12(16-11)7-13-10-5-9(2)15(3)8-10/h6,9-10,13H,4-5,7-8H2,1-3H3
InChIKeyBEPVXKZWNNAPDO-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-methylcyclohexan-1-amine
CID 115656582
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methyloxan-4-amine
CID 103911030
1,2-dimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
CID 103786250
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]oxan-4-amine
CID 115656577
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 103787091
1,5-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine
CID 81466069
1,2,5-trimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
CID 103786303
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylpropan-2-amine
CID 62653886
N-[(2-ethylphenyl)methyl]-1,5-dimethylpyrrolidin-3-amine
CID 81338197
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine
CID 113262339
N-[[2-(2,2-dimethylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 63890465
5-ethyl-2-[(3-methylazetidin-1-yl)methyl]-1,3-thiazole
CID 131020524

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,5-dimethylpyrrolidin-3-amine?
The IUPAC name of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,5-dimethylpyrrolidin-3-amine (CID 115724910) is N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,5-dimethylpyrrolidin-3-amine.
What is the SMILES notation for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,5-dimethylpyrrolidin-3-amine?
The canonical SMILES for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,5-dimethylpyrrolidin-3-amine is CCc1cnc(CNC2CC(C)N(C)C2)s1.
What is the InChIKey of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,5-dimethylpyrrolidin-3-amine?
The InChIKey is BEPVXKZWNNAPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-4-11-6-14-12(16-11)7-13-10-5-9(2)15(3)8-10/h6,9-10,13H,4-5,7-8H2,1-3H3.
What are the key properties of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,5-dimethylpyrrolidin-3-amine?
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,5-dimethylpyrrolidin-3-amine has a molecular weight of 239.39 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,5-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 115724910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).