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

C9H13ClN2S2 — CID 97163916

IUPAC2-chloro-5-[[(3S)-piperidin-3-yl]sulfanylmethyl]-1,3-thiazole
SMILESClc1ncc(CS[C@H]2CCCNC2)s1
InChIInChI=1S/C9H13ClN2S2/c10-9-12-5-8(14-9)6-13-7-2-1-3-11-4-7/h5,7,11H,1-4,6H2/t7-/m0/s1
InChIKeyWFLAFQZZGOKMIR-ZETCQYMHSA-N
MW248.80 g/mol
LogP2.78
Rot. Bonds3

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

2-chloro-5-[[(3S)-piperidin-3-yl]sulfanylmethyl]-1,3-thiazole (PubChem CID 97163916) has the molecular formula C9H13ClN2S2 and a molecular weight of 248.80 g/mol. Its IUPAC name is 2-chloro-5-[[(3S)-piperidin-3-yl]sulfanylmethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-[[(3S)-piperidin-3-yl]sulfanylmethyl]-1,3-thiazole
PubChem CID97163916
Molecular FormulaC9H13ClN2S2
Molecular Weight248.80 g/mol
Exact Mass248.02
IUPAC Name2-chloro-5-[[(3S)-piperidin-3-yl]sulfanylmethyl]-1,3-thiazole
SMILESClc1ncc(CS[C@H]2CCCNC2)s1
InChIInChI=1S/C9H13ClN2S2/c10-9-12-5-8(14-9)6-13-7-2-1-3-11-4-7/h5,7,11H,1-4,6H2/t7-/m0/s1
InChIKeyWFLAFQZZGOKMIR-ZETCQYMHSA-N
XLogP2.78
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.80
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-(pyrrolidin-3-ylmethylsulfanylmethyl)-1,3-thiazole
CID 71640483
2-chloro-5-[[(S)-[(3S)-piperidin-3-yl]sulfinyl]methyl]-1,3-thiazole
CID 97163894
2-chloro-5-(piperidin-3-ylsulfonylmethyl)-1,3-thiazole
CID 71640431
2-chloro-5-[[(R)-[(3R)-piperidin-3-yl]methylsulfinyl]methyl]-1,3-thiazole
CID 97163906
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 71642202
5-(pyrrolidin-3-ylsulfanylmethyl)-1,3-thiazole
CID 71637100
(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
3,5-dimethyl-4-(piperidin-3-ylsulfanylmethyl)-1,2-oxazole
CID 84755010
3-[(3-methylphenyl)methylsulfanyl]piperidine
CID 62766415
4-chloro-5-methyl-2-[(3S)-piperidin-3-yl]sulfanylpyrimidine
CID 97162662
4-chloro-5-methyl-2-[(3R)-piperidin-3-yl]sulfanylpyrimidine
CID 97162661

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[(3S)-piperidin-3-yl]sulfanylmethyl]-1,3-thiazole?
The IUPAC name of 2-chloro-5-[[(3S)-piperidin-3-yl]sulfanylmethyl]-1,3-thiazole (CID 97163916) is 2-chloro-5-[[(3S)-piperidin-3-yl]sulfanylmethyl]-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-[[(3S)-piperidin-3-yl]sulfanylmethyl]-1,3-thiazole?
The canonical SMILES for 2-chloro-5-[[(3S)-piperidin-3-yl]sulfanylmethyl]-1,3-thiazole is Clc1ncc(CS[C@H]2CCCNC2)s1.
What is the InChIKey of 2-chloro-5-[[(3S)-piperidin-3-yl]sulfanylmethyl]-1,3-thiazole?
The InChIKey is WFLAFQZZGOKMIR-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H13ClN2S2/c10-9-12-5-8(14-9)6-13-7-2-1-3-11-4-7/h5,7,11H,1-4,6H2/t7-/m0/s1.
What are the key properties of 2-chloro-5-[[(3S)-piperidin-3-yl]sulfanylmethyl]-1,3-thiazole?
2-chloro-5-[[(3S)-piperidin-3-yl]sulfanylmethyl]-1,3-thiazole has a molecular weight of 248.80 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[(3S)-piperidin-3-yl]sulfanylmethyl]-1,3-thiazole is sourced from PubChem (CID 97163916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).