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

C17H23N3S — CID 60982783

IUPAC1-benzyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine
SMILESCCc1ncc(CNC2CCN(Cc3ccccc3)C2)s1
InChIInChI=1S/C17H23N3S/c1-2-17-19-11-16(21-17)10-18-15-8-9-20(13-15)12-14-6-4-3-5-7-14/h3-7,11,15,18H,2,8-10,12-13H2,1H3
InChIKeyYWEHMBCRLBYHTJ-UHFFFAOYSA-N
MW301.46 g/mol
LogP3.07
Rot. Bonds6

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

1-benzyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine (PubChem CID 60982783) has the molecular formula C17H23N3S and a molecular weight of 301.46 g/mol. Its IUPAC name is 1-benzyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-benzyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine
PubChem CID60982783
Molecular FormulaC17H23N3S
Molecular Weight301.46 g/mol
Exact Mass301.16
IUPAC Name1-benzyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine
SMILESCCc1ncc(CNC2CCN(Cc3ccccc3)C2)s1
InChIInChI=1S/C17H23N3S/c1-2-17-19-11-16(21-17)10-18-15-8-9-20(13-15)12-14-6-4-3-5-7-14/h3-7,11,15,18H,2,8-10,12-13H2,1H3
InChIKeyYWEHMBCRLBYHTJ-UHFFFAOYSA-N
XLogP3.07
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-amine
CID 61285826
(3S)-1-benzyl-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine
CID 95221422
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-propylpiperidin-4-amine
CID 54883470
1-benzyl-N-[(1-ethylimidazol-2-yl)methyl]pyrrolidin-3-amine
CID 62357775
N-[(3R)-1-benzylpyrrolidin-3-yl]-5-ethylpyrimidin-2-amine
CID 97203878
1-benzyl-N-(thiophen-2-ylmethyl)piperidin-3-amine
CID 43327642
1-benzyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine
CID 102673140
1-benzyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-3-amine
CID 61016801
1-benzyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-amine
CID 60713870
1-benzyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine
CID 43223648
1-benzyl-N-[[2-[(dimethylamino)methyl]phenyl]methyl]pyrrolidin-3-amine
CID 113222195
1-benzyl-N-(thiophen-3-ylmethyl)pyrrolidin-3-amine
CID 43223638

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of 1-benzyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine (CID 60982783) is 1-benzyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-benzyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for 1-benzyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine is CCc1ncc(CNC2CCN(Cc3ccccc3)C2)s1.
What is the InChIKey of 1-benzyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine?
The InChIKey is YWEHMBCRLBYHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3S/c1-2-17-19-11-16(21-17)10-18-15-8-9-20(13-15)12-14-6-4-3-5-7-14/h3-7,11,15,18H,2,8-10,12-13H2,1H3.
What are the key properties of 1-benzyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine?
1-benzyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine has a molecular weight of 301.46 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 60982783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).