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

C11H12N2S2 — CID 104853421

IUPAC4-[(2S)-pyrrolidin-2-yl]-2-thiophen-3-yl-1,3-thiazole
SMILESc1cc(-c2nc([C@@H]3CCCN3)cs2)cs1
InChIInChI=1S/C11H12N2S2/c1-2-9(12-4-1)10-7-15-11(13-10)8-3-5-14-6-8/h3,5-7,9,12H,1-2,4H2/t9-/m0/s1
InChIKeyHCOCOJWTDQHLRE-VIFPVBQESA-N
MW236.36 g/mol
LogP3.30
Rot. Bonds2

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

4-[(2S)-pyrrolidin-2-yl]-2-thiophen-3-yl-1,3-thiazole (PubChem CID 104853421) has the molecular formula C11H12N2S2 and a molecular weight of 236.36 g/mol. Its IUPAC name is 4-[(2S)-pyrrolidin-2-yl]-2-thiophen-3-yl-1,3-thiazole.

Molecular Properties

Compound Name4-[(2S)-pyrrolidin-2-yl]-2-thiophen-3-yl-1,3-thiazole
PubChem CID104853421
Molecular FormulaC11H12N2S2
Molecular Weight236.36 g/mol
Exact Mass236.04
IUPAC Name4-[(2S)-pyrrolidin-2-yl]-2-thiophen-3-yl-1,3-thiazole
SMILESc1cc(-c2nc([C@@H]3CCCN3)cs2)cs1
InChIInChI=1S/C11H12N2S2/c1-2-9(12-4-1)10-7-15-11(13-10)8-3-5-14-6-8/h3,5-7,9,12H,1-2,4H2/t9-/m0/s1
InChIKeyHCOCOJWTDQHLRE-VIFPVBQESA-N
XLogP3.30
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(furan-3-yl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853434
2-(4-bromo-3,5-dimethylphenyl)-4-pyrrolidin-2-yl-1,3-thiazole
CID 114456862
2-(2-bromophenyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104928821
2-(1-methylpyrazol-3-yl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104928825
2-(3-bromo-4-methoxyphenyl)-4-pyrrolidin-2-yl-1,3-thiazole
CID 106951192
4-[4-[(2R)-piperidin-2-yl]-1,3-thiazol-2-yl]benzamide
CID 67358308
2-(4-chloro-2-fluorophenyl)-4-pyrrolidin-2-yl-1,3-thiazole
CID 114456904
2-(2-methoxyphenyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104928786
2-(5-fluoro-2-methylphenyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104928656
2-(4,6-dimethyl-2-pyridinyl)-4-pyrrolidin-2-yl-1,3-thiazole
CID 114269459
4-[(2S)-pyrrolidin-2-yl]-2-(thiophen-2-ylmethyl)-1,3-thiazole
CID 104928655
N,N-dimethyl-4-pyrrolidin-2-yl-1,3-thiazol-2-amine
CID 112704147

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-pyrrolidin-2-yl]-2-thiophen-3-yl-1,3-thiazole?
The IUPAC name of 4-[(2S)-pyrrolidin-2-yl]-2-thiophen-3-yl-1,3-thiazole (CID 104853421) is 4-[(2S)-pyrrolidin-2-yl]-2-thiophen-3-yl-1,3-thiazole.
What is the SMILES notation for 4-[(2S)-pyrrolidin-2-yl]-2-thiophen-3-yl-1,3-thiazole?
The canonical SMILES for 4-[(2S)-pyrrolidin-2-yl]-2-thiophen-3-yl-1,3-thiazole is c1cc(-c2nc([C@@H]3CCCN3)cs2)cs1.
What is the InChIKey of 4-[(2S)-pyrrolidin-2-yl]-2-thiophen-3-yl-1,3-thiazole?
The InChIKey is HCOCOJWTDQHLRE-VIFPVBQESA-N. The full InChI is InChI=1S/C11H12N2S2/c1-2-9(12-4-1)10-7-15-11(13-10)8-3-5-14-6-8/h3,5-7,9,12H,1-2,4H2/t9-/m0/s1.
What are the key properties of 4-[(2S)-pyrrolidin-2-yl]-2-thiophen-3-yl-1,3-thiazole?
4-[(2S)-pyrrolidin-2-yl]-2-thiophen-3-yl-1,3-thiazole has a molecular weight of 236.36 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-pyrrolidin-2-yl]-2-thiophen-3-yl-1,3-thiazole is sourced from PubChem (CID 104853421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).