N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine

C17H23N3S — CID 106615024

IUPACN-[(2-phenyl-1,3-thiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
SMILESCCN(Cc1csc(-c2ccccc2)n1)CC1CCCN1
InChIInChI=1S/C17H23N3S/c1-2-20(11-15-9-6-10-18-15)12-16-13-21-17(19-16)14-7-4-3-5-8-14/h3-5,7-8,13,15,18H,2,6,9-12H2,1H3
InChIKeyMLLNSRKHYUNYLM-UHFFFAOYSA-N
MW301.46 g/mol
LogP3.38
Rot. Bonds6

About N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine

N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine (PubChem CID 106615024) has the molecular formula C17H23N3S and a molecular weight of 301.46 g/mol. Its IUPAC name is N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[(2-phenyl-1,3-thiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
PubChem CID106615024
Molecular FormulaC17H23N3S
Molecular Weight301.46 g/mol
Exact Mass301.16
IUPAC NameN-[(2-phenyl-1,3-thiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
SMILESCCN(Cc1csc(-c2ccccc2)n1)CC1CCCN1
InChIInChI=1S/C17H23N3S/c1-2-20(11-15-9-6-10-18-15)12-16-13-21-17(19-16)14-7-4-3-5-8-14/h3-5,7-8,13,15,18H,2,6,9-12H2,1H3
InChIKeyMLLNSRKHYUNYLM-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603593
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603621
N-benzyl-N-(piperidin-2-ylmethyl)ethanamine;dihydrochloride
CID 56831759
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106615340
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106604086
N-(pyridin-4-ylmethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine
CID 102819441
N-(naphthalen-1-ylmethyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603263
ethane;4-ethyl-2-phenyl-1,3-thiazole
CID 91427044
N-[(3,5-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603533
4-ethyl-2-phenyl-1,3-thiazole
CID 5324799
N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 4715267
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603544

Frequently Asked Questions

What is the IUPAC name of N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine?
The IUPAC name of N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine (CID 106615024) is N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine.
What is the SMILES notation for N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine?
The canonical SMILES for N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine is CCN(Cc1csc(-c2ccccc2)n1)CC1CCCN1.
What is the InChIKey of N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine?
The InChIKey is MLLNSRKHYUNYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3S/c1-2-20(11-15-9-6-10-18-15)12-16-13-21-17(19-16)14-7-4-3-5-8-14/h3-5,7-8,13,15,18H,2,6,9-12H2,1H3.
What are the key properties of N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine?
N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine has a molecular weight of 301.46 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 N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine is sourced from PubChem (CID 106615024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).