2-chloro-5-(piperidin-3-ylsulfonylmethyl)-1,3-thiazole

C9H13ClN2O2S2 — CID 71640431

IUPAC2-chloro-5-(piperidin-3-ylsulfonylmethyl)-1,3-thiazole
SMILESO=S(=O)(Cc1cnc(Cl)s1)C1CCCNC1
InChIInChI=1S/C9H13ClN2O2S2/c10-9-12-4-7(15-9)6-16(13,14)8-2-1-3-11-5-8/h4,8,11H,1-3,5-6H2
InChIKeyKZUPHCBYTXPKGZ-UHFFFAOYSA-N
MW280.80 g/mol
LogP1.46
Rot. Bonds3

About 2-chloro-5-(piperidin-3-ylsulfonylmethyl)-1,3-thiazole

2-chloro-5-(piperidin-3-ylsulfonylmethyl)-1,3-thiazole (PubChem CID 71640431) has the molecular formula C9H13ClN2O2S2 and a molecular weight of 280.80 g/mol. Its IUPAC name is 2-chloro-5-(piperidin-3-ylsulfonylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-(piperidin-3-ylsulfonylmethyl)-1,3-thiazole
PubChem CID71640431
Molecular FormulaC9H13ClN2O2S2
Molecular Weight280.80 g/mol
Exact Mass280.01
IUPAC Name2-chloro-5-(piperidin-3-ylsulfonylmethyl)-1,3-thiazole
SMILESO=S(=O)(Cc1cnc(Cl)s1)C1CCCNC1
InChIInChI=1S/C9H13ClN2O2S2/c10-9-12-4-7(15-9)6-16(13,14)8-2-1-3-11-5-8/h4,8,11H,1-3,5-6H2
InChIKeyKZUPHCBYTXPKGZ-UHFFFAOYSA-N
XLogP1.46
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[(3R)-piperidin-3-yl]sulfonylmethyl]-1,3-thiazole
CID 97165913
2-chloro-5-(piperidin-3-ylsulfonylmethyl)pyridine
CID 71639929
2-chloro-5-[[(S)-[(3S)-piperidin-3-yl]sulfinyl]methyl]-1,3-thiazole
CID 97163894
2-chloro-5-[[(3S)-piperidin-3-yl]sulfanylmethyl]-1,3-thiazole
CID 97163916
2-chloro-5-[[(R)-[(3R)-piperidin-3-yl]methylsulfinyl]methyl]-1,3-thiazole
CID 97163906
5-chloro-2-piperidin-3-ylsulfonylpyrimidine;hydrochloride
CID 71640088
3-[(4-chloro-2-fluorophenyl)methylsulfonyl]piperidine
CID 84755143
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 71642202
(3S)-N-[(2-chloro-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine
CID 71640351
2-piperidin-3-ylsulfonylpyrimidine
CID 71645525
3-chloro-6-[(3R)-piperidin-3-yl]sulfonylpyridazine
CID 97163638
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-(piperidin-3-ylsulfonylmethyl)-1,3-thiazole?
The IUPAC name of 2-chloro-5-(piperidin-3-ylsulfonylmethyl)-1,3-thiazole (CID 71640431) is 2-chloro-5-(piperidin-3-ylsulfonylmethyl)-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-(piperidin-3-ylsulfonylmethyl)-1,3-thiazole?
The canonical SMILES for 2-chloro-5-(piperidin-3-ylsulfonylmethyl)-1,3-thiazole is O=S(=O)(Cc1cnc(Cl)s1)C1CCCNC1.
What is the InChIKey of 2-chloro-5-(piperidin-3-ylsulfonylmethyl)-1,3-thiazole?
The InChIKey is KZUPHCBYTXPKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O2S2/c10-9-12-4-7(15-9)6-16(13,14)8-2-1-3-11-5-8/h4,8,11H,1-3,5-6H2.
What are the key properties of 2-chloro-5-(piperidin-3-ylsulfonylmethyl)-1,3-thiazole?
2-chloro-5-(piperidin-3-ylsulfonylmethyl)-1,3-thiazole has a molecular weight of 280.80 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(piperidin-3-ylsulfonylmethyl)-1,3-thiazole is sourced from PubChem (CID 71640431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).