(3S)-1-benzyl-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine

C18H25N3S — CID 95221422

IUPAC(3S)-1-benzyl-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine
SMILESCCc1nc(C)sc1CN[C@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C18H25N3S/c1-3-17-18(22-14(2)20-17)11-19-16-9-10-21(13-16)12-15-7-5-4-6-8-15/h4-8,16,19H,3,9-13H2,1-2H3/t16-/m0/s1
InChIKeyREQZVZHONJJQCO-INIZCTEOSA-N
MW315.49 g/mol
LogP3.38
Rot. Bonds6

About (3S)-1-benzyl-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine

(3S)-1-benzyl-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine (PubChem CID 95221422) has the molecular formula C18H25N3S and a molecular weight of 315.49 g/mol. Its IUPAC name is (3S)-1-benzyl-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-benzyl-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine
PubChem CID95221422
Molecular FormulaC18H25N3S
Molecular Weight315.49 g/mol
Exact Mass315.18
IUPAC Name(3S)-1-benzyl-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine
SMILESCCc1nc(C)sc1CN[C@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C18H25N3S/c1-3-17-18(22-14(2)20-17)11-19-16-9-10-21(13-16)12-15-7-5-4-6-8-15/h4-8,16,19H,3,9-13H2,1-2H3/t16-/m0/s1
InChIKeyREQZVZHONJJQCO-INIZCTEOSA-N
XLogP3.38
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.49
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-1-benzyl-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine with MolForge

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Related Compounds

1-benzyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine
CID 60982783
1-benzyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine
CID 43223648
1-benzyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-3-amine
CID 61016801
1-benzyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine
CID 102673140
N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]cyclopentanamine
CID 82428112
1-benzyl-N-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-amine
CID 61285826
1-benzyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-amine
CID 60713870
1-[1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-2-phenylethanone
CID 56896479
1-benzyl-N-(thiophen-3-ylmethyl)pyrrolidin-3-amine
CID 43223638
1-benzyl-N-[[2-[(dimethylamino)methyl]phenyl]methyl]pyrrolidin-3-amine
CID 113222195
1-benzyl-N-[(1-ethylimidazol-2-yl)methyl]pyrrolidin-3-amine
CID 62357775
1-benzyl-N-(2-cyclopropylpropyl)pyrrolidin-3-amine
CID 115662847

Frequently Asked Questions

What is the IUPAC name of (3S)-1-benzyl-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of (3S)-1-benzyl-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine (CID 95221422) is (3S)-1-benzyl-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-benzyl-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for (3S)-1-benzyl-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine is CCc1nc(C)sc1CN[C@H]1CCN(Cc2ccccc2)C1.
What is the InChIKey of (3S)-1-benzyl-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine?
The InChIKey is REQZVZHONJJQCO-INIZCTEOSA-N. The full InChI is InChI=1S/C18H25N3S/c1-3-17-18(22-14(2)20-17)11-19-16-9-10-21(13-16)12-15-7-5-4-6-8-15/h4-8,16,19H,3,9-13H2,1-2H3/t16-/m0/s1.
What are the key properties of (3S)-1-benzyl-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine?
(3S)-1-benzyl-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine has a molecular weight of 315.49 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-benzyl-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 95221422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).