2-chloro-5-[[(R)-[(3R)-piperidin-3-yl]methylsulfinyl]methyl]-1,3-thiazole

C10H15ClN2OS2 — CID 97163906

IUPAC2-chloro-5-[[(R)-[(3R)-piperidin-3-yl]methylsulfinyl]methyl]-1,3-thiazole
SMILESO=[S@@](Cc1cnc(Cl)s1)C[C@@H]1CCCNC1
InChIInChI=1S/C10H15ClN2OS2/c11-10-13-5-9(15-10)7-16(14)6-8-2-1-3-12-4-8/h5,8,12H,1-4,6-7H2/t8-,16-/m1/s1
InChIKeyFIIJYGYQXOHSHC-VPTHRUTESA-N
MW278.83 g/mol
LogP2.04
Rot. Bonds4

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

2-chloro-5-[[(R)-[(3R)-piperidin-3-yl]methylsulfinyl]methyl]-1,3-thiazole (PubChem CID 97163906) has the molecular formula C10H15ClN2OS2 and a molecular weight of 278.83 g/mol. Its IUPAC name is 2-chloro-5-[[(R)-[(3R)-piperidin-3-yl]methylsulfinyl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-[[(R)-[(3R)-piperidin-3-yl]methylsulfinyl]methyl]-1,3-thiazole
PubChem CID97163906
Molecular FormulaC10H15ClN2OS2
Molecular Weight278.83 g/mol
Exact Mass278.03
IUPAC Name2-chloro-5-[[(R)-[(3R)-piperidin-3-yl]methylsulfinyl]methyl]-1,3-thiazole
SMILESO=[S@@](Cc1cnc(Cl)s1)C[C@@H]1CCCNC1
InChIInChI=1S/C10H15ClN2OS2/c11-10-13-5-9(15-10)7-16(14)6-8-2-1-3-12-4-8/h5,8,12H,1-4,6-7H2/t8-,16-/m1/s1
InChIKeyFIIJYGYQXOHSHC-VPTHRUTESA-N
XLogP2.04
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.83
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-[[(S)-[(3S)-piperidin-3-yl]sulfinyl]methyl]-1,3-thiazole
CID 97163894
2-chloro-5-[[(R)-[(2R)-piperidin-2-yl]methylsulfinyl]methyl]-1,3-thiazole
CID 97163900
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 71642202
4-(piperidin-3-ylmethylsulfinylmethyl)pyridine
CID 71646160
4-[[(R)-[(3R)-piperidin-3-yl]methylsulfinyl]methyl]pyridine
CID 97166366
5-chloro-2-(piperidin-3-ylmethylsulfinyl)pyrimidine
CID 71640119
2-chloro-5-[[(S)-[(3R)-pyrrolidin-3-yl]methylsulfinyl]methyl]pyridine
CID 97163622
2-chloro-5-[[(3S)-piperidin-3-yl]sulfanylmethyl]-1,3-thiazole
CID 97163916
2-chloro-5-(piperidin-3-ylsulfonylmethyl)-1,3-thiazole
CID 71640431
2-chloro-5-[[(3S)-pyrrolidin-3-yl]methoxymethyl]-1,3-thiazole
CID 97163860
3-[(5-chlorothiophen-2-yl)methylsulfinylmethyl]azetidine
CID 81198204
2-chloro-5-(pyrrolidin-3-ylmethylsulfanylmethyl)-1,3-thiazole
CID 71640483

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[(R)-[(3R)-piperidin-3-yl]methylsulfinyl]methyl]-1,3-thiazole?
The IUPAC name of 2-chloro-5-[[(R)-[(3R)-piperidin-3-yl]methylsulfinyl]methyl]-1,3-thiazole (CID 97163906) is 2-chloro-5-[[(R)-[(3R)-piperidin-3-yl]methylsulfinyl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-[[(R)-[(3R)-piperidin-3-yl]methylsulfinyl]methyl]-1,3-thiazole?
The canonical SMILES for 2-chloro-5-[[(R)-[(3R)-piperidin-3-yl]methylsulfinyl]methyl]-1,3-thiazole is O=[S@@](Cc1cnc(Cl)s1)C[C@@H]1CCCNC1.
What is the InChIKey of 2-chloro-5-[[(R)-[(3R)-piperidin-3-yl]methylsulfinyl]methyl]-1,3-thiazole?
The InChIKey is FIIJYGYQXOHSHC-VPTHRUTESA-N. The full InChI is InChI=1S/C10H15ClN2OS2/c11-10-13-5-9(15-10)7-16(14)6-8-2-1-3-12-4-8/h5,8,12H,1-4,6-7H2/t8-,16-/m1/s1.
What are the key properties of 2-chloro-5-[[(R)-[(3R)-piperidin-3-yl]methylsulfinyl]methyl]-1,3-thiazole?
2-chloro-5-[[(R)-[(3R)-piperidin-3-yl]methylsulfinyl]methyl]-1,3-thiazole has a molecular weight of 278.83 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[(R)-[(3R)-piperidin-3-yl]methylsulfinyl]methyl]-1,3-thiazole is sourced from PubChem (CID 97163906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).