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

C14H15ClN2S — CID 104928707

IUPAC2-[(2-chlorophenyl)methyl]-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
SMILESClc1ccccc1Cc1nc([C@@H]2CCCN2)cs1
InChIInChI=1S/C14H15ClN2S/c15-11-5-2-1-4-10(11)8-14-17-13(9-18-14)12-6-3-7-16-12/h1-2,4-5,9,12,16H,3,6-8H2/t12-/m0/s1
InChIKeyITXIXFABKVKWSA-LBPRGKRZSA-N
MW278.81 g/mol
LogP3.81
Rot. Bonds3

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

2-[(2-chlorophenyl)methyl]-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole (PubChem CID 104928707) has the molecular formula C14H15ClN2S and a molecular weight of 278.81 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
PubChem CID104928707
Molecular FormulaC14H15ClN2S
Molecular Weight278.81 g/mol
Exact Mass278.06
IUPAC Name2-[(2-chlorophenyl)methyl]-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
SMILESClc1ccccc1Cc1nc([C@@H]2CCCN2)cs1
InChIInChI=1S/C14H15ClN2S/c15-11-5-2-1-4-10(11)8-14-17-13(9-18-14)12-6-3-7-16-12/h1-2,4-5,9,12,16H,3,6-8H2/t12-/m0/s1
InChIKeyITXIXFABKVKWSA-LBPRGKRZSA-N
XLogP3.81
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.81
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-chlorophenyl)methyl]-4-pyrrolidin-2-yl-1,3-thiazole
CID 114456818
2-[(2-chlorophenyl)sulfanylmethyl]-4-pyrrolidin-2-yl-1,3-thiazole
CID 114456842
4-[(2S)-pyrrolidin-2-yl]-2-(thiophen-2-ylmethyl)-1,3-thiazole
CID 104928655
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-(pyridin-4-ylmethyl)-4-pyrrolidin-2-yl-1,3-thiazole
CID 114456781
[4-[(2R)-pyrrolidin-2-yl]-1,3-thiazol-2-yl]methanol
CID 104853412
2-[(3-fluorophenyl)methyl]-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104928674
2-(2,2-dimethylpropyl)-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853395
2-propyl-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853422
4-[(2S)-pyrrolidin-2-yl]-2-(2,2,2-trifluoroethyl)-1,3-thiazole
CID 104853425
2-(methoxymethyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 95430246

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole (CID 104928707) is 2-[(2-chlorophenyl)methyl]-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole is Clc1ccccc1Cc1nc([C@@H]2CCCN2)cs1.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole?
The InChIKey is ITXIXFABKVKWSA-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H15ClN2S/c15-11-5-2-1-4-10(11)8-14-17-13(9-18-14)12-6-3-7-16-12/h1-2,4-5,9,12,16H,3,6-8H2/t12-/m0/s1.
What are the key properties of 2-[(2-chlorophenyl)methyl]-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole?
2-[(2-chlorophenyl)methyl]-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole has a molecular weight of 278.81 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole is sourced from PubChem (CID 104928707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).