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

C10H13F3N2S — CID 104928834

IUPAC4-[(2S)-pyrrolidin-2-yl]-2-(3,3,3-trifluoropropyl)-1,3-thiazole
SMILESFC(F)(F)CCc1nc([C@@H]2CCCN2)cs1
InChIInChI=1S/C10H13F3N2S/c11-10(12,13)4-3-9-15-8(6-16-9)7-2-1-5-14-7/h6-7,14H,1-5H2/t7-/m0/s1
InChIKeyITXRFVDWVRKDNK-ZETCQYMHSA-N
MW250.29 g/mol
LogP3.06
Rot. Bonds3

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

4-[(2S)-pyrrolidin-2-yl]-2-(3,3,3-trifluoropropyl)-1,3-thiazole (PubChem CID 104928834) has the molecular formula C10H13F3N2S and a molecular weight of 250.29 g/mol. Its IUPAC name is 4-[(2S)-pyrrolidin-2-yl]-2-(3,3,3-trifluoropropyl)-1,3-thiazole.

Molecular Properties

Compound Name4-[(2S)-pyrrolidin-2-yl]-2-(3,3,3-trifluoropropyl)-1,3-thiazole
PubChem CID104928834
Molecular FormulaC10H13F3N2S
Molecular Weight250.29 g/mol
Exact Mass250.08
IUPAC Name4-[(2S)-pyrrolidin-2-yl]-2-(3,3,3-trifluoropropyl)-1,3-thiazole
SMILESFC(F)(F)CCc1nc([C@@H]2CCCN2)cs1
InChIInChI=1S/C10H13F3N2S/c11-10(12,13)4-3-9-15-8(6-16-9)7-2-1-5-14-7/h6-7,14H,1-5H2/t7-/m0/s1
InChIKeyITXRFVDWVRKDNK-ZETCQYMHSA-N
XLogP3.06
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-pyrrolidin-2-yl-2-(3,3,3-trifluoropropyl)-1,3-thiazole
CID 114456941
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
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
2-(cyclopropylmethyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853446
2-(cyclopropylmethyl)-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853410
2-(methoxymethyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 95430246
2-(pyridin-4-ylmethyl)-4-pyrrolidin-2-yl-1,3-thiazole
CID 114456781
4-piperidin-2-yl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole
CID 103477119
2-[(4-fluorophenyl)sulfanylmethyl]-4-pyrrolidin-2-yl-1,3-thiazole
CID 114456938
2-(propylsulfanylmethyl)-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853401

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-pyrrolidin-2-yl]-2-(3,3,3-trifluoropropyl)-1,3-thiazole?
The IUPAC name of 4-[(2S)-pyrrolidin-2-yl]-2-(3,3,3-trifluoropropyl)-1,3-thiazole (CID 104928834) is 4-[(2S)-pyrrolidin-2-yl]-2-(3,3,3-trifluoropropyl)-1,3-thiazole.
What is the SMILES notation for 4-[(2S)-pyrrolidin-2-yl]-2-(3,3,3-trifluoropropyl)-1,3-thiazole?
The canonical SMILES for 4-[(2S)-pyrrolidin-2-yl]-2-(3,3,3-trifluoropropyl)-1,3-thiazole is FC(F)(F)CCc1nc([C@@H]2CCCN2)cs1.
What is the InChIKey of 4-[(2S)-pyrrolidin-2-yl]-2-(3,3,3-trifluoropropyl)-1,3-thiazole?
The InChIKey is ITXRFVDWVRKDNK-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H13F3N2S/c11-10(12,13)4-3-9-15-8(6-16-9)7-2-1-5-14-7/h6-7,14H,1-5H2/t7-/m0/s1.
What are the key properties of 4-[(2S)-pyrrolidin-2-yl]-2-(3,3,3-trifluoropropyl)-1,3-thiazole?
4-[(2S)-pyrrolidin-2-yl]-2-(3,3,3-trifluoropropyl)-1,3-thiazole has a molecular weight of 250.29 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-pyrrolidin-2-yl]-2-(3,3,3-trifluoropropyl)-1,3-thiazole is sourced from PubChem (CID 104928834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).