2-(2,2-dimethylpropyl)-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole

C12H20N2S — CID 104853395

IUPAC2-(2,2-dimethylpropyl)-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole
SMILESCC(C)(C)Cc1nc([C@H]2CCCN2)cs1
InChIInChI=1S/C12H20N2S/c1-12(2,3)7-11-14-10(8-15-11)9-5-4-6-13-9/h8-9,13H,4-7H2,1-3H3/t9-/m1/s1
InChIKeyMWGBJJAKXOYXBL-SECBINFHSA-N
MW224.37 g/mol
LogP3.16
Rot. Bonds2

About 2-(2,2-dimethylpropyl)-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole

2-(2,2-dimethylpropyl)-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole (PubChem CID 104853395) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole
PubChem CID104853395
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name2-(2,2-dimethylpropyl)-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole
SMILESCC(C)(C)Cc1nc([C@H]2CCCN2)cs1
InChIInChI=1S/C12H20N2S/c1-12(2,3)7-11-14-10(8-15-11)9-5-4-6-13-9/h8-9,13H,4-7H2,1-3H3/t9-/m1/s1
InChIKeyMWGBJJAKXOYXBL-SECBINFHSA-N
XLogP3.16
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2S)-pyrrolidin-2-yl]-2-(2,2,2-trifluoroethyl)-1,3-thiazole
CID 104853425
2-propyl-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853422
[4-[(2R)-pyrrolidin-2-yl]-1,3-thiazol-2-yl]methanol
CID 104853412
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-(3,3,3-trifluoropropyl)-1,3-thiazole
CID 104928834
4-pyrrolidin-2-yl-2-(3,3,3-trifluoropropyl)-1,3-thiazole
CID 114456941
2-(propylsulfanylmethyl)-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853401
2-(pyridin-4-ylmethyl)-4-pyrrolidin-2-yl-1,3-thiazole
CID 114456781
2-(butan-2-ylsulfanylmethyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104928731
4-[(2S)-pyrrolidin-2-yl]-2-(thiophen-2-ylmethyl)-1,3-thiazole
CID 104928655

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole?
The IUPAC name of 2-(2,2-dimethylpropyl)-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole (CID 104853395) is 2-(2,2-dimethylpropyl)-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole?
The canonical SMILES for 2-(2,2-dimethylpropyl)-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole is CC(C)(C)Cc1nc([C@H]2CCCN2)cs1.
What is the InChIKey of 2-(2,2-dimethylpropyl)-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole?
The InChIKey is MWGBJJAKXOYXBL-SECBINFHSA-N. The full InChI is InChI=1S/C12H20N2S/c1-12(2,3)7-11-14-10(8-15-11)9-5-4-6-13-9/h8-9,13H,4-7H2,1-3H3/t9-/m1/s1.
What are the key properties of 2-(2,2-dimethylpropyl)-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole?
2-(2,2-dimethylpropyl)-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole has a molecular weight of 224.37 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole is sourced from PubChem (CID 104853395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).