5-[(3S,5S)-1,5-di(propan-2-yl)pyrrolidin-3-yl]-1,3-thiazole

C13H22N2S — CID 59610145

IUPAC5-[(3S,5S)-1,5-di(propan-2-yl)pyrrolidin-3-yl]-1,3-thiazole
SMILESCC(C)[C@@H]1C[C@H](c2cncs2)CN1C(C)C
InChIInChI=1S/C13H22N2S/c1-9(2)12-5-11(7-15(12)10(3)4)13-6-14-8-16-13/h6,8-12H,5,7H2,1-4H3/t11-,12-/m0/s1
InChIKeyYLWXJQKACVVLML-RYUDHWBXSA-N
MW238.40 g/mol
LogP3.37
Rot. Bonds3

About 5-[(3S,5S)-1,5-di(propan-2-yl)pyrrolidin-3-yl]-1,3-thiazole

5-[(3S,5S)-1,5-di(propan-2-yl)pyrrolidin-3-yl]-1,3-thiazole (PubChem CID 59610145) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 5-[(3S,5S)-1,5-di(propan-2-yl)pyrrolidin-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name5-[(3S,5S)-1,5-di(propan-2-yl)pyrrolidin-3-yl]-1,3-thiazole
PubChem CID59610145
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name5-[(3S,5S)-1,5-di(propan-2-yl)pyrrolidin-3-yl]-1,3-thiazole
SMILESCC(C)[C@@H]1C[C@H](c2cncs2)CN1C(C)C
InChIInChI=1S/C13H22N2S/c1-9(2)12-5-11(7-15(12)10(3)4)13-6-14-8-16-13/h6,8-12H,5,7H2,1-4H3/t11-,12-/m0/s1
InChIKeyYLWXJQKACVVLML-RYUDHWBXSA-N
XLogP3.37
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Nonan-3-yl-2-(trifluoromethyl)-1,3-thiazole
CID 146558774
5-Octan-2-yl-2-(trifluoromethyl)-1,3-thiazole
CID 167185113
N-[2-(1,3-thiazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine
CID 105177933
N-ethyl-2-(1,3-thiazol-5-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine
CID 105177962
N-ethyl-2-(1,3-thiazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine
CID 105178076
N-[2-(1,3-thiazol-5-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine
CID 105178126
3-Fluoro-2-propan-2-yl-4-(1,3-thiazol-5-yl)butan-1-amine
CID 107443741
5-[(3-Fluoropyrrolidin-3-yl)methyl]-1,3-thiazole
CID 112645699
5-(2-Fluoro-2-pyrrolidin-2-ylpropyl)-1,3-thiazole
CID 131036651
2-(2-Fluoro-5-thiazolyl)-6-methyl-1-azabicyclo[2.2.1]heptane
CID 165353089
2-(3-Methylbutyl)-5-(5-methylhexyl)-1,3-thiazole
CID 18683408
5-(2-Methylpropyl)-1,3-thiazole
CID 21062115

Frequently Asked Questions

What is the IUPAC name of 5-[(3S,5S)-1,5-di(propan-2-yl)pyrrolidin-3-yl]-1,3-thiazole?
The IUPAC name of 5-[(3S,5S)-1,5-di(propan-2-yl)pyrrolidin-3-yl]-1,3-thiazole (CID 59610145) is 5-[(3S,5S)-1,5-di(propan-2-yl)pyrrolidin-3-yl]-1,3-thiazole.
What is the SMILES notation for 5-[(3S,5S)-1,5-di(propan-2-yl)pyrrolidin-3-yl]-1,3-thiazole?
The canonical SMILES for 5-[(3S,5S)-1,5-di(propan-2-yl)pyrrolidin-3-yl]-1,3-thiazole is CC(C)[C@@H]1C[C@H](c2cncs2)CN1C(C)C.
What is the InChIKey of 5-[(3S,5S)-1,5-di(propan-2-yl)pyrrolidin-3-yl]-1,3-thiazole?
The InChIKey is YLWXJQKACVVLML-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H22N2S/c1-9(2)12-5-11(7-15(12)10(3)4)13-6-14-8-16-13/h6,8-12H,5,7H2,1-4H3/t11-,12-/m0/s1.
What are the key properties of 5-[(3S,5S)-1,5-di(propan-2-yl)pyrrolidin-3-yl]-1,3-thiazole?
5-[(3S,5S)-1,5-di(propan-2-yl)pyrrolidin-3-yl]-1,3-thiazole has a molecular weight of 238.40 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S,5S)-1,5-di(propan-2-yl)pyrrolidin-3-yl]-1,3-thiazole is sourced from PubChem (CID 59610145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).