2-chloro-5-[3-(1H-pyrazol-5-yl)piperidin-1-yl]sulfonyl-1,3-thiazole

C11H13ClN4O2S2 — CID 61047388

IUPAC2-chloro-5-[3-(1H-pyrazol-5-yl)piperidin-1-yl]sulfonyl-1,3-thiazole
SMILESO=S(=O)(c1cnc(Cl)s1)N1CCCC(c2ccn[nH]2)C1
InChIInChI=1S/C11H13ClN4O2S2/c12-11-13-6-10(19-11)20(17,18)16-5-1-2-8(7-16)9-3-4-14-15-9/h3-4,6,8H,1-2,5,7H2,(H,14,15)
InChIKeyOBCWBNQGRQINOZ-UHFFFAOYSA-N
MW332.84 g/mol
LogP2.09
Rot. Bonds3

About 2-chloro-5-[3-(1H-pyrazol-5-yl)piperidin-1-yl]sulfonyl-1,3-thiazole

2-chloro-5-[3-(1H-pyrazol-5-yl)piperidin-1-yl]sulfonyl-1,3-thiazole (PubChem CID 61047388) has the molecular formula C11H13ClN4O2S2 and a molecular weight of 332.84 g/mol. Its IUPAC name is 2-chloro-5-[3-(1H-pyrazol-5-yl)piperidin-1-yl]sulfonyl-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-[3-(1H-pyrazol-5-yl)piperidin-1-yl]sulfonyl-1,3-thiazole
PubChem CID61047388
Molecular FormulaC11H13ClN4O2S2
Molecular Weight332.84 g/mol
Exact Mass332.02
IUPAC Name2-chloro-5-[3-(1H-pyrazol-5-yl)piperidin-1-yl]sulfonyl-1,3-thiazole
SMILESO=S(=O)(c1cnc(Cl)s1)N1CCCC(c2ccn[nH]2)C1
InChIInChI=1S/C11H13ClN4O2S2/c12-11-13-6-10(19-11)20(17,18)16-5-1-2-8(7-16)9-3-4-14-15-9/h3-4,6,8H,1-2,5,7H2,(H,14,15)
InChIKeyOBCWBNQGRQINOZ-UHFFFAOYSA-N
XLogP2.09
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.84
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-3-ol
CID 107877932
3,5-dimethyl-4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]sulfonyl-1,2-oxazole
CID 131909529
4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]sulfonylmorpholine
CID 110270790
N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]methanesulfonamide
CID 61047427
1-benzylsulfonyl-3-(1H-pyrazol-5-yl)piperidine
CID 45212473
4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-1,4-thiazepane
CID 61419635
5-[1-(2-fluorophenyl)sulfonylpyrrolidin-3-yl]-1H-pyrazole
CID 110270616
4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperazin-2-one
CID 43427528
cyclopropyl-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 62866717
(2-aminocyclohexyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 64824388
2-chloro-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-1,3-thiazole
CID 43455811
(2-chloro-5-fluoro-3-pyridinyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 103892263

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[3-(1H-pyrazol-5-yl)piperidin-1-yl]sulfonyl-1,3-thiazole?
The IUPAC name of 2-chloro-5-[3-(1H-pyrazol-5-yl)piperidin-1-yl]sulfonyl-1,3-thiazole (CID 61047388) is 2-chloro-5-[3-(1H-pyrazol-5-yl)piperidin-1-yl]sulfonyl-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-[3-(1H-pyrazol-5-yl)piperidin-1-yl]sulfonyl-1,3-thiazole?
The canonical SMILES for 2-chloro-5-[3-(1H-pyrazol-5-yl)piperidin-1-yl]sulfonyl-1,3-thiazole is O=S(=O)(c1cnc(Cl)s1)N1CCCC(c2ccn[nH]2)C1.
What is the InChIKey of 2-chloro-5-[3-(1H-pyrazol-5-yl)piperidin-1-yl]sulfonyl-1,3-thiazole?
The InChIKey is OBCWBNQGRQINOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O2S2/c12-11-13-6-10(19-11)20(17,18)16-5-1-2-8(7-16)9-3-4-14-15-9/h3-4,6,8H,1-2,5,7H2,(H,14,15).
What are the key properties of 2-chloro-5-[3-(1H-pyrazol-5-yl)piperidin-1-yl]sulfonyl-1,3-thiazole?
2-chloro-5-[3-(1H-pyrazol-5-yl)piperidin-1-yl]sulfonyl-1,3-thiazole has a molecular weight of 332.84 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[3-(1H-pyrazol-5-yl)piperidin-1-yl]sulfonyl-1,3-thiazole is sourced from PubChem (CID 61047388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).