2-chloro-5-[4-(difluoromethyl)piperidin-1-yl]sulfonyl-4-methyl-1,3-thiazole

C10H13ClF2N2O2S2 — CID 136515496

IUPAC2-chloro-5-[4-(difluoromethyl)piperidin-1-yl]sulfonyl-4-methyl-1,3-thiazole
SMILESCc1nc(Cl)sc1S(=O)(=O)N1CCC(C(F)F)CC1
InChIInChI=1S/C10H13ClF2N2O2S2/c1-6-9(18-10(11)14-6)19(16,17)15-4-2-7(3-5-15)8(12)13/h7-8H,2-5H2,1H3
InChIKeyASLUUXQIYKOHNR-UHFFFAOYSA-N
MW330.81 g/mol
LogP2.77
Rot. Bonds3

About 2-chloro-5-[4-(difluoromethyl)piperidin-1-yl]sulfonyl-4-methyl-1,3-thiazole

2-chloro-5-[4-(difluoromethyl)piperidin-1-yl]sulfonyl-4-methyl-1,3-thiazole (PubChem CID 136515496) has the molecular formula C10H13ClF2N2O2S2 and a molecular weight of 330.81 g/mol. Its IUPAC name is 2-chloro-5-[4-(difluoromethyl)piperidin-1-yl]sulfonyl-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-[4-(difluoromethyl)piperidin-1-yl]sulfonyl-4-methyl-1,3-thiazole
PubChem CID136515496
Molecular FormulaC10H13ClF2N2O2S2
Molecular Weight330.81 g/mol
Exact Mass330.01
IUPAC Name2-chloro-5-[4-(difluoromethyl)piperidin-1-yl]sulfonyl-4-methyl-1,3-thiazole
SMILESCc1nc(Cl)sc1S(=O)(=O)N1CCC(C(F)F)CC1
InChIInChI=1S/C10H13ClF2N2O2S2/c1-6-9(18-10(11)14-6)19(16,17)15-4-2-7(3-5-15)8(12)13/h7-8H,2-5H2,1H3
InChIKeyASLUUXQIYKOHNR-UHFFFAOYSA-N
XLogP2.77
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.81
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[4-(difluoromethyl)piperidin-1-yl]sulfonyl-4-methyl-1,3-thiazole?
The IUPAC name of 2-chloro-5-[4-(difluoromethyl)piperidin-1-yl]sulfonyl-4-methyl-1,3-thiazole (CID 136515496) is 2-chloro-5-[4-(difluoromethyl)piperidin-1-yl]sulfonyl-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-[4-(difluoromethyl)piperidin-1-yl]sulfonyl-4-methyl-1,3-thiazole?
The canonical SMILES for 2-chloro-5-[4-(difluoromethyl)piperidin-1-yl]sulfonyl-4-methyl-1,3-thiazole is Cc1nc(Cl)sc1S(=O)(=O)N1CCC(C(F)F)CC1.
What is the InChIKey of 2-chloro-5-[4-(difluoromethyl)piperidin-1-yl]sulfonyl-4-methyl-1,3-thiazole?
The InChIKey is ASLUUXQIYKOHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClF2N2O2S2/c1-6-9(18-10(11)14-6)19(16,17)15-4-2-7(3-5-15)8(12)13/h7-8H,2-5H2,1H3.
What are the key properties of 2-chloro-5-[4-(difluoromethyl)piperidin-1-yl]sulfonyl-4-methyl-1,3-thiazole?
2-chloro-5-[4-(difluoromethyl)piperidin-1-yl]sulfonyl-4-methyl-1,3-thiazole has a molecular weight of 330.81 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[4-(difluoromethyl)piperidin-1-yl]sulfonyl-4-methyl-1,3-thiazole is sourced from PubChem (CID 136515496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).