2-chloro-5-[[(S)-[(3S)-piperidin-3-yl]sulfinyl]methyl]-1,3-thiazole

C9H13ClN2OS2 — CID 97163894

IUPAC2-chloro-5-[[(S)-[(3S)-piperidin-3-yl]sulfinyl]methyl]-1,3-thiazole
SMILESO=[S@@](Cc1cnc(Cl)s1)[C@H]1CCCNC1
InChIInChI=1S/C9H13ClN2OS2/c10-9-12-4-7(14-9)6-15(13)8-2-1-3-11-5-8/h4,8,11H,1-3,5-6H2/t8-,15-/m0/s1
InChIKeyDXTRDBJRUGZMFP-AYVTZFPOSA-N
MW264.80 g/mol
LogP1.80
Rot. Bonds3

About 2-chloro-5-[[(S)-[(3S)-piperidin-3-yl]sulfinyl]methyl]-1,3-thiazole

2-chloro-5-[[(S)-[(3S)-piperidin-3-yl]sulfinyl]methyl]-1,3-thiazole (PubChem CID 97163894) has the molecular formula C9H13ClN2OS2 and a molecular weight of 264.80 g/mol. Its IUPAC name is 2-chloro-5-[[(S)-[(3S)-piperidin-3-yl]sulfinyl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-[[(S)-[(3S)-piperidin-3-yl]sulfinyl]methyl]-1,3-thiazole
PubChem CID97163894
Molecular FormulaC9H13ClN2OS2
Molecular Weight264.80 g/mol
Exact Mass264.02
IUPAC Name2-chloro-5-[[(S)-[(3S)-piperidin-3-yl]sulfinyl]methyl]-1,3-thiazole
SMILESO=[S@@](Cc1cnc(Cl)s1)[C@H]1CCCNC1
InChIInChI=1S/C9H13ClN2OS2/c10-9-12-4-7(14-9)6-15(13)8-2-1-3-11-5-8/h4,8,11H,1-3,5-6H2/t8-,15-/m0/s1
InChIKeyDXTRDBJRUGZMFP-AYVTZFPOSA-N
XLogP1.80
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.80
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(R)-[(3R)-piperidin-3-yl]sulfinyl]methyl]-1,3-thiazole
CID 97166187
2-chloro-5-[[(R)-[(3R)-piperidin-3-yl]methylsulfinyl]methyl]-1,3-thiazole
CID 97163906
2-chloro-5-[[(R)-[(3R)-piperidin-3-yl]sulfinyl]methyl]pyridine
CID 97163604
2-chloro-5-(piperidin-3-ylsulfonylmethyl)-1,3-thiazole
CID 71640431
2-chloro-5-[[(3S)-piperidin-3-yl]sulfanylmethyl]-1,3-thiazole
CID 97163916
2-chloro-5-[[(S)-[(3S)-pyrrolidin-3-yl]sulfinyl]methyl]pyridine
CID 97163603
2-chloro-5-[[(R)-[(2R)-piperidin-2-yl]methylsulfinyl]methyl]-1,3-thiazole
CID 97163900
2-chloro-5-[[(R)-[(3S)-pyrrolidin-3-yl]sulfinyl]methyl]pyridine;hydrochloride
CID 170987713
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 71642202
tert-butyl (3R)-3-[(S)-(2-chloro-1,3-thiazol-5-yl)methylsulfinyl]piperidine-1-carboxylate
CID 97171993
(3S)-N-[(2-chloro-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine
CID 71640351
2-chloro-5-[[(3S)-pyrrolidin-3-yl]methoxymethyl]-1,3-thiazole
CID 97163860

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[(S)-[(3S)-piperidin-3-yl]sulfinyl]methyl]-1,3-thiazole?
The IUPAC name of 2-chloro-5-[[(S)-[(3S)-piperidin-3-yl]sulfinyl]methyl]-1,3-thiazole (CID 97163894) is 2-chloro-5-[[(S)-[(3S)-piperidin-3-yl]sulfinyl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-[[(S)-[(3S)-piperidin-3-yl]sulfinyl]methyl]-1,3-thiazole?
The canonical SMILES for 2-chloro-5-[[(S)-[(3S)-piperidin-3-yl]sulfinyl]methyl]-1,3-thiazole is O=[S@@](Cc1cnc(Cl)s1)[C@H]1CCCNC1.
What is the InChIKey of 2-chloro-5-[[(S)-[(3S)-piperidin-3-yl]sulfinyl]methyl]-1,3-thiazole?
The InChIKey is DXTRDBJRUGZMFP-AYVTZFPOSA-N. The full InChI is InChI=1S/C9H13ClN2OS2/c10-9-12-4-7(14-9)6-15(13)8-2-1-3-11-5-8/h4,8,11H,1-3,5-6H2/t8-,15-/m0/s1.
What are the key properties of 2-chloro-5-[[(S)-[(3S)-piperidin-3-yl]sulfinyl]methyl]-1,3-thiazole?
2-chloro-5-[[(S)-[(3S)-piperidin-3-yl]sulfinyl]methyl]-1,3-thiazole has a molecular weight of 264.80 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[(S)-[(3S)-piperidin-3-yl]sulfinyl]methyl]-1,3-thiazole is sourced from PubChem (CID 97163894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).