2-(1-ethoxyethyl)-4-[[2-(1-methylimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole

C16H24N4OS — CID 75398024

IUPAC2-(1-ethoxyethyl)-4-[[2-(1-methylimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
SMILESCCOC(C)c1nc(CN2CCCC2c2nccn2C)cs1
InChIInChI=1S/C16H24N4OS/c1-4-21-12(2)16-18-13(11-22-16)10-20-8-5-6-14(20)15-17-7-9-19(15)3/h7,9,11-12,14H,4-6,8,10H2,1-3H3
InChIKeyRCYUKDUONIUGIU-UHFFFAOYSA-N
MW320.46 g/mol
LogP3.31
Rot. Bonds6

About 2-(1-ethoxyethyl)-4-[[2-(1-methylimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole

2-(1-ethoxyethyl)-4-[[2-(1-methylimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole (PubChem CID 75398024) has the molecular formula C16H24N4OS and a molecular weight of 320.46 g/mol. Its IUPAC name is 2-(1-ethoxyethyl)-4-[[2-(1-methylimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(1-ethoxyethyl)-4-[[2-(1-methylimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
PubChem CID75398024
Molecular FormulaC16H24N4OS
Molecular Weight320.46 g/mol
Exact Mass320.17
IUPAC Name2-(1-ethoxyethyl)-4-[[2-(1-methylimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
SMILESCCOC(C)c1nc(CN2CCCC2c2nccn2C)cs1
InChIInChI=1S/C16H24N4OS/c1-4-21-12(2)16-18-13(11-22-16)10-20-8-5-6-14(20)15-17-7-9-19(15)3/h7,9,11-12,14H,4-6,8,10H2,1-3H3
InChIKeyRCYUKDUONIUGIU-UHFFFAOYSA-N
XLogP3.31
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(methoxymethyl)-1,3-thiazol-4-yl]-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]methanamine
CID 72115614
2-{[(1-methyl-1H-imidazol-2-yl)methyl][(2-methyl-1,3-thiazol-4-yl)methyl]amino}ethanol
CID 91842004
4-[[2-[(3R)-oxolan-3-yl]imidazol-1-yl]methyl]-2-propan-2-yl-1,3-thiazole
CID 95563933
4-[[(2R)-2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 99825630
(1S)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 124843016
N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-imidazol-1-yl-N-methylpropan-1-amine
CID 154753862
N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-2-imidazol-1-yl-N-methylethanamine
CID 167891745
2-(1-{[2-(ethylsulfonyl)-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-2-pyrrolidinyl)-1,3-thiazole
CID 45221489
N-methyl-1-[2-methylsulfonyl-3-[[(2S)-oxolan-2-yl]methyl]imidazol-4-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 25286834
N-methyl-1-[2-methylsulfonyl-3-[[(2R)-oxolan-2-yl]methyl]imidazol-4-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 25286836
2-[(2R)-1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrrolidin-2-yl]-1,3-thiazole
CID 42512830
2-[(2S)-1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrrolidin-2-yl]-1,3-thiazole
CID 42512832

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxyethyl)-4-[[2-(1-methylimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-(1-ethoxyethyl)-4-[[2-(1-methylimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole (CID 75398024) is 2-(1-ethoxyethyl)-4-[[2-(1-methylimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-(1-ethoxyethyl)-4-[[2-(1-methylimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-(1-ethoxyethyl)-4-[[2-(1-methylimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole is CCOC(C)c1nc(CN2CCCC2c2nccn2C)cs1.
What is the InChIKey of 2-(1-ethoxyethyl)-4-[[2-(1-methylimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is RCYUKDUONIUGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4OS/c1-4-21-12(2)16-18-13(11-22-16)10-20-8-5-6-14(20)15-17-7-9-19(15)3/h7,9,11-12,14H,4-6,8,10H2,1-3H3.
What are the key properties of 2-(1-ethoxyethyl)-4-[[2-(1-methylimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole?
2-(1-ethoxyethyl)-4-[[2-(1-methylimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 320.46 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxyethyl)-4-[[2-(1-methylimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 75398024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).