5-(2-chlorophenyl)-2-(3-ethyl-3-methylpyrrolidin-1-yl)-1,3-thiazole

C16H19ClN2S — CID 160877969

IUPAC5-(2-chlorophenyl)-2-(3-ethyl-3-methylpyrrolidin-1-yl)-1,3-thiazole
SMILESCCC1(C)CCN(c2ncc(-c3ccccc3Cl)s2)C1
InChIInChI=1S/C16H19ClN2S/c1-3-16(2)8-9-19(11-16)15-18-10-14(20-15)12-6-4-5-7-13(12)17/h4-7,10H,3,8-9,11H2,1-2H3
InChIKeyWNWBFLRMQHRAJV-UHFFFAOYSA-N
MW306.86 g/mol
LogP5.09
Rot. Bonds3

About 5-(2-chlorophenyl)-2-(3-ethyl-3-methylpyrrolidin-1-yl)-1,3-thiazole

5-(2-chlorophenyl)-2-(3-ethyl-3-methylpyrrolidin-1-yl)-1,3-thiazole (PubChem CID 160877969) has the molecular formula C16H19ClN2S and a molecular weight of 306.86 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-2-(3-ethyl-3-methylpyrrolidin-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name5-(2-chlorophenyl)-2-(3-ethyl-3-methylpyrrolidin-1-yl)-1,3-thiazole
PubChem CID160877969
Molecular FormulaC16H19ClN2S
Molecular Weight306.86 g/mol
Exact Mass306.10
IUPAC Name5-(2-chlorophenyl)-2-(3-ethyl-3-methylpyrrolidin-1-yl)-1,3-thiazole
SMILESCCC1(C)CCN(c2ncc(-c3ccccc3Cl)s2)C1
InChIInChI=1S/C16H19ClN2S/c1-3-16(2)8-9-19(11-16)15-18-10-14(20-15)12-6-4-5-7-13(12)17/h4-7,10H,3,8-9,11H2,1-2H3
InChIKeyWNWBFLRMQHRAJV-UHFFFAOYSA-N
XLogP5.09
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.86
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[5-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-methylpyrrolidin-3-yl]methanamine
CID 139434665
6-(2,3-dichlorophenyl)-2-(3-ethyl-3-methylpyrrolidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine
CID 158163317
[1-[(1S)-1'-[5-(2-chlorophenyl)-1,3-thiazol-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropan-2-yl]carbamic acid
CID 175089540
5-(2-chlorophenyl)-N-ethyl-1,3-thiazol-2-amine
CID 116811958
[1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-methylpiperidin-3-yl]methanol
CID 133451629
2-(3-ethyl-3-methylpyrrolidin-1-yl)-5-iodopyrimidine
CID 131010619
5-chloro-2-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]-4-(trifluoromethyl)pyridine
CID 130192282
N-[[2-(4-ethyl-4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 63163672
[1-(3-chloro-2-pyridinyl)-4-methylpiperidin-4-yl]methanamine
CID 107160290
3-chloro-5-(chloromethyl)-2-(4-ethyl-4-methylpiperidin-1-yl)pyridine
CID 63159235
6-[(3S)-3-(2-aminoethyl)-3-methylpyrrolidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine
CID 126480959
2-chloro-4-(4-ethyl-4-methylpiperidin-1-yl)pyridine
CID 103756719

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-2-(3-ethyl-3-methylpyrrolidin-1-yl)-1,3-thiazole?
The IUPAC name of 5-(2-chlorophenyl)-2-(3-ethyl-3-methylpyrrolidin-1-yl)-1,3-thiazole (CID 160877969) is 5-(2-chlorophenyl)-2-(3-ethyl-3-methylpyrrolidin-1-yl)-1,3-thiazole.
What is the SMILES notation for 5-(2-chlorophenyl)-2-(3-ethyl-3-methylpyrrolidin-1-yl)-1,3-thiazole?
The canonical SMILES for 5-(2-chlorophenyl)-2-(3-ethyl-3-methylpyrrolidin-1-yl)-1,3-thiazole is CCC1(C)CCN(c2ncc(-c3ccccc3Cl)s2)C1.
What is the InChIKey of 5-(2-chlorophenyl)-2-(3-ethyl-3-methylpyrrolidin-1-yl)-1,3-thiazole?
The InChIKey is WNWBFLRMQHRAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2S/c1-3-16(2)8-9-19(11-16)15-18-10-14(20-15)12-6-4-5-7-13(12)17/h4-7,10H,3,8-9,11H2,1-2H3.
What are the key properties of 5-(2-chlorophenyl)-2-(3-ethyl-3-methylpyrrolidin-1-yl)-1,3-thiazole?
5-(2-chlorophenyl)-2-(3-ethyl-3-methylpyrrolidin-1-yl)-1,3-thiazole has a molecular weight of 306.86 g/mol, XLogP of 5.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-2-(3-ethyl-3-methylpyrrolidin-1-yl)-1,3-thiazole is sourced from PubChem (CID 160877969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).