(3R)-1-[(3,4-dichlorophenyl)-(1,3-thiazol-5-yl)methyl]pyrrolidin-3-ol

C14H14Cl2N2OS — CID 141169178

IUPAC(3R)-1-[(3,4-dichlorophenyl)-(1,3-thiazol-5-yl)methyl]pyrrolidin-3-ol
SMILESO[C@@H]1CCN(C(c2ccc(Cl)c(Cl)c2)c2cncs2)C1
InChIInChI=1S/C14H14Cl2N2OS/c15-11-2-1-9(5-12(11)16)14(13-6-17-8-20-13)18-4-3-10(19)7-18/h1-2,5-6,8,10,14,19H,3-4,7H2/t10-,14?/m1/s1
InChIKeyFJCBEDHTTDHFEH-IAPIXIRKSA-N
MW329.25 g/mol
LogP3.61
Rot. Bonds3

About (3R)-1-[(3,4-dichlorophenyl)-(1,3-thiazol-5-yl)methyl]pyrrolidin-3-ol

(3R)-1-[(3,4-dichlorophenyl)-(1,3-thiazol-5-yl)methyl]pyrrolidin-3-ol (PubChem CID 141169178) has the molecular formula C14H14Cl2N2OS and a molecular weight of 329.25 g/mol. Its IUPAC name is (3R)-1-[(3,4-dichlorophenyl)-(1,3-thiazol-5-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[(3,4-dichlorophenyl)-(1,3-thiazol-5-yl)methyl]pyrrolidin-3-ol
PubChem CID141169178
Molecular FormulaC14H14Cl2N2OS
Molecular Weight329.25 g/mol
Exact Mass328.02
IUPAC Name(3R)-1-[(3,4-dichlorophenyl)-(1,3-thiazol-5-yl)methyl]pyrrolidin-3-ol
SMILESO[C@@H]1CCN(C(c2ccc(Cl)c(Cl)c2)c2cncs2)C1
InChIInChI=1S/C14H14Cl2N2OS/c15-11-2-1-9(5-12(11)16)14(13-6-17-8-20-13)18-4-3-10(19)7-18/h1-2,5-6,8,10,14,19H,3-4,7H2/t10-,14?/m1/s1
InChIKeyFJCBEDHTTDHFEH-IAPIXIRKSA-N
XLogP3.61
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.25
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(3,4-dichlorophenyl)-(1,3-thiazol-5-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[(3,4-dichlorophenyl)-(1,3-thiazol-5-yl)methyl]pyrrolidin-3-ol (CID 141169178) is (3R)-1-[(3,4-dichlorophenyl)-(1,3-thiazol-5-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[(3,4-dichlorophenyl)-(1,3-thiazol-5-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[(3,4-dichlorophenyl)-(1,3-thiazol-5-yl)methyl]pyrrolidin-3-ol is O[C@@H]1CCN(C(c2ccc(Cl)c(Cl)c2)c2cncs2)C1.
What is the InChIKey of (3R)-1-[(3,4-dichlorophenyl)-(1,3-thiazol-5-yl)methyl]pyrrolidin-3-ol?
The InChIKey is FJCBEDHTTDHFEH-IAPIXIRKSA-N. The full InChI is InChI=1S/C14H14Cl2N2OS/c15-11-2-1-9(5-12(11)16)14(13-6-17-8-20-13)18-4-3-10(19)7-18/h1-2,5-6,8,10,14,19H,3-4,7H2/t10-,14?/m1/s1.
What are the key properties of (3R)-1-[(3,4-dichlorophenyl)-(1,3-thiazol-5-yl)methyl]pyrrolidin-3-ol?
(3R)-1-[(3,4-dichlorophenyl)-(1,3-thiazol-5-yl)methyl]pyrrolidin-3-ol has a molecular weight of 329.25 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(3,4-dichlorophenyl)-(1,3-thiazol-5-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 141169178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).