2-ethyl-4-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]-1,3-thiazole

C16H20N2S — CID 95338960

IUPAC2-ethyl-4-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]-1,3-thiazole
SMILESCCc1nc(CN2CC[C@H](c3ccccc3)C2)cs1
InChIInChI=1S/C16H20N2S/c1-2-16-17-15(12-19-16)11-18-9-8-14(10-18)13-6-4-3-5-7-13/h3-7,12,14H,2,8-11H2,1H3/t14-/m0/s1
InChIKeyNSUDKSAMLPPYFW-AWEZNQCLSA-N
MW272.42 g/mol
LogP3.69
Rot. Bonds4

About 2-ethyl-4-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]-1,3-thiazole

2-ethyl-4-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]-1,3-thiazole (PubChem CID 95338960) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is 2-ethyl-4-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-ethyl-4-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]-1,3-thiazole
PubChem CID95338960
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC Name2-ethyl-4-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]-1,3-thiazole
SMILESCCc1nc(CN2CC[C@H](c3ccccc3)C2)cs1
InChIInChI=1S/C16H20N2S/c1-2-16-17-15(12-19-16)11-18-9-8-14(10-18)13-6-4-3-5-7-13/h3-7,12,14H,2,8-11H2,1H3/t14-/m0/s1
InChIKeyNSUDKSAMLPPYFW-AWEZNQCLSA-N
XLogP3.69
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]-2-propan-2-yl-1,3-thiazole
CID 95339542
2-ethyl-4-[(2-phenylpyrrolidin-1-yl)methyl]-1,3-thiazole
CID 134050920
5-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole
CID 75462080
4-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]methyl]morpholine
CID 126781884
2-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1,3-benzothiazole
CID 60508451
(3S,4S)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-methylpyrrolidine-3-carboxylic acid
CID 98534340
2-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]azetidin-3-yl]acetic acid
CID 64617728
(2R)-4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
CID 129335905
(3S,4R)-4-phenyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 120761556
N,N-diethyl-1-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-amine
CID 63166798
2-[3-(4-ethoxyphenyl)phenyl]-4-[(4-phenylpiperidin-1-yl)methyl]-1,3-thiazole
CID 24720751
2-ethyl-4-[[(1R,5S)-3-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-1,3-thiazole
CID 164631173

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-ethyl-4-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]-1,3-thiazole (CID 95338960) is 2-ethyl-4-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-ethyl-4-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-ethyl-4-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]-1,3-thiazole is CCc1nc(CN2CC[C@H](c3ccccc3)C2)cs1.
What is the InChIKey of 2-ethyl-4-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is NSUDKSAMLPPYFW-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H20N2S/c1-2-16-17-15(12-19-16)11-18-9-8-14(10-18)13-6-4-3-5-7-13/h3-7,12,14H,2,8-11H2,1H3/t14-/m0/s1.
What are the key properties of 2-ethyl-4-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]-1,3-thiazole?
2-ethyl-4-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 272.42 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 95338960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).