2-[(2-chlorophenyl)sulfanylmethyl]-4-pyrrolidin-2-yl-1,3-thiazole

C14H15ClN2S2 — CID 114456842

IUPAC2-[(2-chlorophenyl)sulfanylmethyl]-4-pyrrolidin-2-yl-1,3-thiazole
SMILESClc1ccccc1SCc1nc(C2CCCN2)cs1
InChIInChI=1S/C14H15ClN2S2/c15-10-4-1-2-6-13(10)18-9-14-17-12(8-19-14)11-5-3-7-16-11/h1-2,4,6,8,11,16H,3,5,7,9H2
InChIKeyREWUXTKILXZSAG-UHFFFAOYSA-N
MW310.88 g/mol
LogP4.51
Rot. Bonds4

About 2-[(2-chlorophenyl)sulfanylmethyl]-4-pyrrolidin-2-yl-1,3-thiazole

2-[(2-chlorophenyl)sulfanylmethyl]-4-pyrrolidin-2-yl-1,3-thiazole (PubChem CID 114456842) has the molecular formula C14H15ClN2S2 and a molecular weight of 310.88 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)sulfanylmethyl]-4-pyrrolidin-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-[(2-chlorophenyl)sulfanylmethyl]-4-pyrrolidin-2-yl-1,3-thiazole
PubChem CID114456842
Molecular FormulaC14H15ClN2S2
Molecular Weight310.88 g/mol
Exact Mass310.04
IUPAC Name2-[(2-chlorophenyl)sulfanylmethyl]-4-pyrrolidin-2-yl-1,3-thiazole
SMILESClc1ccccc1SCc1nc(C2CCCN2)cs1
InChIInChI=1S/C14H15ClN2S2/c15-10-4-1-2-6-13(10)18-9-14-17-12(8-19-14)11-5-3-7-16-11/h1-2,4,6,8,11,16H,3,5,7,9H2
InChIKeyREWUXTKILXZSAG-UHFFFAOYSA-N
XLogP4.51
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.88
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-chlorophenyl)methyl]-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104928707
2-[(2-chlorophenyl)methyl]-4-pyrrolidin-2-yl-1,3-thiazole
CID 114456818
2-[(4-fluorophenyl)sulfanylmethyl]-4-pyrrolidin-2-yl-1,3-thiazole
CID 114456938
2-[(3-bromophenyl)sulfanylmethyl]-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104928833
2-[(2-chlorophenyl)sulfanylmethyl]-1,3-thiazol-4-ol
CID 130501364
2-(cyclopropylmethyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853446
2-(cyclopropylmethyl)-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853410
2-(butan-2-ylsulfanylmethyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104928731
2-(propylsulfanylmethyl)-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853401
[4-[(2R)-pyrrolidin-2-yl]-1,3-thiazol-2-yl]methanol
CID 104853412
4-[2-[(2-chlorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]aniline
CID 66153900
4-[(2S)-pyrrolidin-2-yl]-2-(thiophen-2-ylmethyl)-1,3-thiazole
CID 104928655

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)sulfanylmethyl]-4-pyrrolidin-2-yl-1,3-thiazole?
The IUPAC name of 2-[(2-chlorophenyl)sulfanylmethyl]-4-pyrrolidin-2-yl-1,3-thiazole (CID 114456842) is 2-[(2-chlorophenyl)sulfanylmethyl]-4-pyrrolidin-2-yl-1,3-thiazole.
What is the SMILES notation for 2-[(2-chlorophenyl)sulfanylmethyl]-4-pyrrolidin-2-yl-1,3-thiazole?
The canonical SMILES for 2-[(2-chlorophenyl)sulfanylmethyl]-4-pyrrolidin-2-yl-1,3-thiazole is Clc1ccccc1SCc1nc(C2CCCN2)cs1.
What is the InChIKey of 2-[(2-chlorophenyl)sulfanylmethyl]-4-pyrrolidin-2-yl-1,3-thiazole?
The InChIKey is REWUXTKILXZSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2S2/c15-10-4-1-2-6-13(10)18-9-14-17-12(8-19-14)11-5-3-7-16-11/h1-2,4,6,8,11,16H,3,5,7,9H2.
What are the key properties of 2-[(2-chlorophenyl)sulfanylmethyl]-4-pyrrolidin-2-yl-1,3-thiazole?
2-[(2-chlorophenyl)sulfanylmethyl]-4-pyrrolidin-2-yl-1,3-thiazole has a molecular weight of 310.88 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)sulfanylmethyl]-4-pyrrolidin-2-yl-1,3-thiazole is sourced from PubChem (CID 114456842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).