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

C10H16N2S — CID 96858276

IUPAC2-propan-2-yl-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole
SMILESCC(C)c1nc([C@H]2CCCN2)cs1
InChIInChI=1S/C10H16N2S/c1-7(2)10-12-9(6-13-10)8-4-3-5-11-8/h6-8,11H,3-5H2,1-2H3/t8-/m1/s1
InChIKeyNVLPWZPDJCVIKG-MRVPVSSYSA-N
MW196.32 g/mol
LogP2.69
Rot. Bonds2

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

2-propan-2-yl-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole (PubChem CID 96858276) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is 2-propan-2-yl-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-propan-2-yl-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole
PubChem CID96858276
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name2-propan-2-yl-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole
SMILESCC(C)c1nc([C@H]2CCCN2)cs1
InChIInChI=1S/C10H16N2S/c1-7(2)10-12-9(6-13-10)8-4-3-5-11-8/h6-8,11H,3-5H2,1-2H3/t8-/m1/s1
InChIKeyNVLPWZPDJCVIKG-MRVPVSSYSA-N
XLogP2.69
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-ethoxyethyl)-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853403
4-cyclobutyl-2-propan-2-yl-1,3-thiazole
CID 126992198
N,N-dimethyl-4-pyrrolidin-2-yl-1,3-thiazol-2-amine
CID 112704147
N-methyl-4-pyrrolidin-2-yl-1,3-thiazol-2-amine
CID 112704146
N-methyl-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-2-amine
CID 72942833
2-(2,2-dimethylpropyl)-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853395
2-propyl-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853422
2-ethoxy-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853409
2-(butan-2-ylsulfanylmethyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104928731
[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

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole?
The IUPAC name of 2-propan-2-yl-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole (CID 96858276) is 2-propan-2-yl-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-propan-2-yl-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole?
The canonical SMILES for 2-propan-2-yl-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole is CC(C)c1nc([C@H]2CCCN2)cs1.
What is the InChIKey of 2-propan-2-yl-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole?
The InChIKey is NVLPWZPDJCVIKG-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-7(2)10-12-9(6-13-10)8-4-3-5-11-8/h6-8,11H,3-5H2,1-2H3/t8-/m1/s1.
What are the key properties of 2-propan-2-yl-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole?
2-propan-2-yl-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole has a molecular weight of 196.32 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole is sourced from PubChem (CID 96858276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).