5-[(2R,4R)-4-chloropyrrolidin-2-yl]-1,3-thiazole

C7H9ClN2S — CID 177219966

IUPAC5-[(2R,4R)-4-chloropyrrolidin-2-yl]-1,3-thiazole
SMILESCl[C@H]1CN[C@@H](c2cncs2)C1
InChIInChI=1S/C7H9ClN2S/c8-5-1-6(10-2-5)7-3-9-4-11-7/h3-6,10H,1-2H2/t5-,6-/m1/s1
InChIKeyOTNOWROCDHDDCV-PHDIDXHHSA-N
MW188.68 g/mol
LogP1.78
Rot. Bonds1

About 5-[(2R,4R)-4-chloropyrrolidin-2-yl]-1,3-thiazole

5-[(2R,4R)-4-chloropyrrolidin-2-yl]-1,3-thiazole (PubChem CID 177219966) has the molecular formula C7H9ClN2S and a molecular weight of 188.68 g/mol. Its IUPAC name is 5-[(2R,4R)-4-chloropyrrolidin-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name5-[(2R,4R)-4-chloropyrrolidin-2-yl]-1,3-thiazole
PubChem CID177219966
Molecular FormulaC7H9ClN2S
Molecular Weight188.68 g/mol
Exact Mass188.02
IUPAC Name5-[(2R,4R)-4-chloropyrrolidin-2-yl]-1,3-thiazole
SMILESCl[C@H]1CN[C@@H](c2cncs2)C1
InChIInChI=1S/C7H9ClN2S/c8-5-1-6(10-2-5)7-3-9-4-11-7/h3-6,10H,1-2H2/t5-,6-/m1/s1
InChIKeyOTNOWROCDHDDCV-PHDIDXHHSA-N
XLogP1.78
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.68
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-Pyrrolidin-2-yl-2-(trifluoromethyl)-1,3-thiazole
CID 106784098
1-(1,3-Thiazol-5-yl)propan-1-amine
CID 67336934
5-(Pyrrolidin-2-yl)-1,3-thiazole
CID 82595495
5-[[(2R)-pyrrolidin-2-yl]methyl]-1,3-thiazole
CID 96738729
5-(Azetidin-2-yl)-1,3-thiazole
CID 104078807
2-Chloro-1-(2-chloro-1,3-thiazol-5-yl)ethanamine;hydrochloride
CID 135346490
2-Chloro-1-(2-chloro-1,3-thiazol-5-yl)ethanamine
CID 135346491
(1S)-2-chloro-1-(2-chloro-1,3-thiazol-5-yl)ethanamine
CID 135368394
(1S)-2-chloro-1-(2-chloro-1,3-thiazol-5-yl)ethanamine;hydrochloride
CID 135368649
2-(2-chlorothiazol-5-yl)-N-methyl-3,4-dihydro-2H-pyrrol-5-amine
CID 137012442
1-(2-chloro-1,3-thiazol-5-yl)-N-methylbutan-1-amine
CID 141371603
1-(2-chloro-1,3-thiazol-5-yl)-N-methylpropan-1-amine
CID 141371604

Frequently Asked Questions

What is the IUPAC name of 5-[(2R,4R)-4-chloropyrrolidin-2-yl]-1,3-thiazole?
The IUPAC name of 5-[(2R,4R)-4-chloropyrrolidin-2-yl]-1,3-thiazole (CID 177219966) is 5-[(2R,4R)-4-chloropyrrolidin-2-yl]-1,3-thiazole.
What is the SMILES notation for 5-[(2R,4R)-4-chloropyrrolidin-2-yl]-1,3-thiazole?
The canonical SMILES for 5-[(2R,4R)-4-chloropyrrolidin-2-yl]-1,3-thiazole is Cl[C@H]1CN[C@@H](c2cncs2)C1.
What is the InChIKey of 5-[(2R,4R)-4-chloropyrrolidin-2-yl]-1,3-thiazole?
The InChIKey is OTNOWROCDHDDCV-PHDIDXHHSA-N. The full InChI is InChI=1S/C7H9ClN2S/c8-5-1-6(10-2-5)7-3-9-4-11-7/h3-6,10H,1-2H2/t5-,6-/m1/s1.
What are the key properties of 5-[(2R,4R)-4-chloropyrrolidin-2-yl]-1,3-thiazole?
5-[(2R,4R)-4-chloropyrrolidin-2-yl]-1,3-thiazole has a molecular weight of 188.68 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,4R)-4-chloropyrrolidin-2-yl]-1,3-thiazole is sourced from PubChem (CID 177219966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).