[2-[[(3S)-1-(3,3-difluoropropyl)pyrrolidin-3-yl]methyl]-1,3-thiazol-5-yl]methanol

C12H18F2N2OS — CID 170950938

IUPAC[2-[[(3S)-1-(3,3-difluoropropyl)pyrrolidin-3-yl]methyl]-1,3-thiazol-5-yl]methanol
SMILESOCc1cnc(C[C@@H]2CCN(CCC(F)F)C2)s1
InChIInChI=1S/C12H18F2N2OS/c13-11(14)2-4-16-3-1-9(7-16)5-12-15-6-10(8-17)18-12/h6,9,11,17H,1-5,7-8H2/t9-/m0/s1
InChIKeyAVYNYFJFQKJPOP-VIFPVBQESA-N
MW276.35 g/mol
LogP2.15
Rot. Bonds6

About [2-[[(3S)-1-(3,3-difluoropropyl)pyrrolidin-3-yl]methyl]-1,3-thiazol-5-yl]methanol

[2-[[(3S)-1-(3,3-difluoropropyl)pyrrolidin-3-yl]methyl]-1,3-thiazol-5-yl]methanol (PubChem CID 170950938) has the molecular formula C12H18F2N2OS and a molecular weight of 276.35 g/mol. Its IUPAC name is [2-[[(3S)-1-(3,3-difluoropropyl)pyrrolidin-3-yl]methyl]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-[[(3S)-1-(3,3-difluoropropyl)pyrrolidin-3-yl]methyl]-1,3-thiazol-5-yl]methanol
PubChem CID170950938
Molecular FormulaC12H18F2N2OS
Molecular Weight276.35 g/mol
Exact Mass276.11
IUPAC Name[2-[[(3S)-1-(3,3-difluoropropyl)pyrrolidin-3-yl]methyl]-1,3-thiazol-5-yl]methanol
SMILESOCc1cnc(C[C@@H]2CCN(CCC(F)F)C2)s1
InChIInChI=1S/C12H18F2N2OS/c13-11(14)2-4-16-3-1-9(7-16)5-12-15-6-10(8-17)18-12/h6,9,11,17H,1-5,7-8H2/t9-/m0/s1
InChIKeyAVYNYFJFQKJPOP-VIFPVBQESA-N
XLogP2.15
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[[(3S)-1-(3,3-difluoropropyl)pyrrolidin-3-yl]methyl]-1,3-thiazol-5-yl]methanol with MolForge

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Related Compounds

[2-[[1-(3-Fluoropropyl)azetidin-3-yl]methyl]-1,3-thiazol-5-yl]methanol
CID 170950808
[2-[[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]methyl]-1,3-thiazol-5-yl]methanol
CID 170950909
[2-[[(3R)-1-(3-fluoropropyl)pyrrolidin-3-yl]methyl]-1,3-thiazol-5-yl]methanol
CID 170950945
2-[[(3S)-1-(3,3-difluoropropyl)pyrrolidin-3-yl]methyl]-5-methyl-1,3-thiazole
CID 178480359
(2-(2,2,2-Trifluoroethyl)thiazol-5-yl)methanol
CID 65575710
[2-(3,3,3-Trifluoropropyl)-1,3-thiazol-5-yl]methanol
CID 79964867
[2-[2-(2,2,2-Trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanol
CID 103151227
[2-[2-(2,2-Difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanol
CID 103151228
3-[(2-Propan-2-yl-1,3-thiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 109931982
3-[(2-Cyclopentyl-1,3-thiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 109931994
3-[(2-Cyclobutyl-1,3-thiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 109932057
5-Hydroxymethyl-2-(2-methylpropyl)thiazole
CID 21085977

Frequently Asked Questions

What is the IUPAC name of [2-[[(3S)-1-(3,3-difluoropropyl)pyrrolidin-3-yl]methyl]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-[[(3S)-1-(3,3-difluoropropyl)pyrrolidin-3-yl]methyl]-1,3-thiazol-5-yl]methanol (CID 170950938) is [2-[[(3S)-1-(3,3-difluoropropyl)pyrrolidin-3-yl]methyl]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-[[(3S)-1-(3,3-difluoropropyl)pyrrolidin-3-yl]methyl]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-[[(3S)-1-(3,3-difluoropropyl)pyrrolidin-3-yl]methyl]-1,3-thiazol-5-yl]methanol is OCc1cnc(C[C@@H]2CCN(CCC(F)F)C2)s1.
What is the InChIKey of [2-[[(3S)-1-(3,3-difluoropropyl)pyrrolidin-3-yl]methyl]-1,3-thiazol-5-yl]methanol?
The InChIKey is AVYNYFJFQKJPOP-VIFPVBQESA-N. The full InChI is InChI=1S/C12H18F2N2OS/c13-11(14)2-4-16-3-1-9(7-16)5-12-15-6-10(8-17)18-12/h6,9,11,17H,1-5,7-8H2/t9-/m0/s1.
What are the key properties of [2-[[(3S)-1-(3,3-difluoropropyl)pyrrolidin-3-yl]methyl]-1,3-thiazol-5-yl]methanol?
[2-[[(3S)-1-(3,3-difluoropropyl)pyrrolidin-3-yl]methyl]-1,3-thiazol-5-yl]methanol has a molecular weight of 276.35 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(3S)-1-(3,3-difluoropropyl)pyrrolidin-3-yl]methyl]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 170950938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).