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

C10H16N2S — CID 104853422

IUPAC2-propyl-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
SMILESCCCc1nc([C@@H]2CCCN2)cs1
InChIInChI=1S/C10H16N2S/c1-2-4-10-12-9(7-13-10)8-5-3-6-11-8/h7-8,11H,2-6H2,1H3/t8-/m0/s1
InChIKeyBOIMYAUAXOEFEU-QMMMGPOBSA-N
MW196.32 g/mol
LogP2.52
Rot. Bonds3

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

2-propyl-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole (PubChem CID 104853422) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is 2-propyl-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-propyl-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
PubChem CID104853422
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name2-propyl-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
SMILESCCCc1nc([C@@H]2CCCN2)cs1
InChIInChI=1S/C10H16N2S/c1-2-4-10-12-9(7-13-10)8-5-3-6-11-8/h7-8,11H,2-6H2,1H3/t8-/m0/s1
InChIKeyBOIMYAUAXOEFEU-QMMMGPOBSA-N
XLogP2.52
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(propylsulfanylmethyl)-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853401
2-(2,2-dimethylpropyl)-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853395
[4-[(2R)-pyrrolidin-2-yl]-1,3-thiazol-2-yl]methanol
CID 104853412
4-[(2S)-pyrrolidin-2-yl]-2-(3,3,3-trifluoropropyl)-1,3-thiazole
CID 104928834
4-pyrrolidin-2-yl-2-(3,3,3-trifluoropropyl)-1,3-thiazole
CID 114456941
2-(methoxymethyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 95430246
2-(cyclopropylmethyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853446
2-(cyclopropylmethyl)-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853410
4-[(2S)-pyrrolidin-2-yl]-2-(2,2,2-trifluoroethyl)-1,3-thiazole
CID 104853425
2-(butan-2-ylsulfanylmethyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104928731
4-cyclohexyl-2-propyl-1,3-thiazole
CID 130157916
2-ethoxy-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853409

Frequently Asked Questions

What is the IUPAC name of 2-propyl-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole?
The IUPAC name of 2-propyl-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole (CID 104853422) is 2-propyl-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-propyl-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole?
The canonical SMILES for 2-propyl-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole is CCCc1nc([C@@H]2CCCN2)cs1.
What is the InChIKey of 2-propyl-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole?
The InChIKey is BOIMYAUAXOEFEU-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H16N2S/c1-2-4-10-12-9(7-13-10)8-5-3-6-11-8/h7-8,11H,2-6H2,1H3/t8-/m0/s1.
What are the key properties of 2-propyl-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole?
2-propyl-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole has a molecular weight of 196.32 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole is sourced from PubChem (CID 104853422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).