(3S)-1-(4-chloro-1,3-thiazol-2-yl)pyrrolidin-3-ol

C7H9ClN2OS — CID 104892830

IUPAC(3S)-1-(4-chloro-1,3-thiazol-2-yl)pyrrolidin-3-ol
SMILESO[C@H]1CCN(c2nc(Cl)cs2)C1
InChIInChI=1S/C7H9ClN2OS/c8-6-4-12-7(9-6)10-2-1-5(11)3-10/h4-5,11H,1-3H2/t5-/m0/s1
InChIKeyMPGXWVSDGRQYSD-YFKPBYRVSA-N
MW204.68 g/mol
LogP1.37
Rot. Bonds1

About (3S)-1-(4-chloro-1,3-thiazol-2-yl)pyrrolidin-3-ol

(3S)-1-(4-chloro-1,3-thiazol-2-yl)pyrrolidin-3-ol (PubChem CID 104892830) has the molecular formula C7H9ClN2OS and a molecular weight of 204.68 g/mol. Its IUPAC name is (3S)-1-(4-chloro-1,3-thiazol-2-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-(4-chloro-1,3-thiazol-2-yl)pyrrolidin-3-ol
PubChem CID104892830
Molecular FormulaC7H9ClN2OS
Molecular Weight204.68 g/mol
Exact Mass204.01
IUPAC Name(3S)-1-(4-chloro-1,3-thiazol-2-yl)pyrrolidin-3-ol
SMILESO[C@H]1CCN(c2nc(Cl)cs2)C1
InChIInChI=1S/C7H9ClN2OS/c8-6-4-12-7(9-6)10-2-1-5(11)3-10/h4-5,11H,1-3H2/t5-/m0/s1
InChIKeyMPGXWVSDGRQYSD-YFKPBYRVSA-N
XLogP1.37
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.68
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-chloro-1,3-thiazol-2-yl)pyrrolidin-3-ol?
The IUPAC name of (3S)-1-(4-chloro-1,3-thiazol-2-yl)pyrrolidin-3-ol (CID 104892830) is (3S)-1-(4-chloro-1,3-thiazol-2-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-(4-chloro-1,3-thiazol-2-yl)pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-(4-chloro-1,3-thiazol-2-yl)pyrrolidin-3-ol is O[C@H]1CCN(c2nc(Cl)cs2)C1.
What is the InChIKey of (3S)-1-(4-chloro-1,3-thiazol-2-yl)pyrrolidin-3-ol?
The InChIKey is MPGXWVSDGRQYSD-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H9ClN2OS/c8-6-4-12-7(9-6)10-2-1-5(11)3-10/h4-5,11H,1-3H2/t5-/m0/s1.
What are the key properties of (3S)-1-(4-chloro-1,3-thiazol-2-yl)pyrrolidin-3-ol?
(3S)-1-(4-chloro-1,3-thiazol-2-yl)pyrrolidin-3-ol has a molecular weight of 204.68 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-chloro-1,3-thiazol-2-yl)pyrrolidin-3-ol is sourced from PubChem (CID 104892830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).