4-ethyl-N-[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]benzenesulfinamide

C16H22N2O2S2 — CID 143247561

IUPAC4-ethyl-N-[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]benzenesulfinamide
SMILESCCc1ccc(S(=O)Nc2nc(C(O)(CC)CC)cs2)cc1
InChIInChI=1S/C16H22N2O2S2/c1-4-12-7-9-13(10-8-12)22(20)18-15-17-14(11-21-15)16(19,5-2)6-3/h7-11,19H,4-6H2,1-3H3,(H,17,18)
InChIKeyFBGQAZQTHKSQGF-UHFFFAOYSA-N
MW338.50 g/mol
LogP3.85
Rot. Bonds7

About 4-ethyl-N-[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]benzenesulfinamide

4-ethyl-N-[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]benzenesulfinamide (PubChem CID 143247561) has the molecular formula C16H22N2O2S2 and a molecular weight of 338.50 g/mol. Its IUPAC name is 4-ethyl-N-[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]benzenesulfinamide.

Molecular Properties

Compound Name4-ethyl-N-[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]benzenesulfinamide
PubChem CID143247561
Molecular FormulaC16H22N2O2S2
Molecular Weight338.50 g/mol
Exact Mass338.11
IUPAC Name4-ethyl-N-[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]benzenesulfinamide
SMILESCCc1ccc(S(=O)Nc2nc(C(O)(CC)CC)cs2)cc1
InChIInChI=1S/C16H22N2O2S2/c1-4-12-7-9-13(10-8-12)22(20)18-15-17-14(11-21-15)16(19,5-2)6-3/h7-11,19H,4-6H2,1-3H3,(H,17,18)
InChIKeyFBGQAZQTHKSQGF-UHFFFAOYSA-N
XLogP3.85
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]benzenesulfinamide?
The IUPAC name of 4-ethyl-N-[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]benzenesulfinamide (CID 143247561) is 4-ethyl-N-[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]benzenesulfinamide.
What is the SMILES notation for 4-ethyl-N-[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]benzenesulfinamide?
The canonical SMILES for 4-ethyl-N-[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]benzenesulfinamide is CCc1ccc(S(=O)Nc2nc(C(O)(CC)CC)cs2)cc1.
What is the InChIKey of 4-ethyl-N-[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]benzenesulfinamide?
The InChIKey is FBGQAZQTHKSQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S2/c1-4-12-7-9-13(10-8-12)22(20)18-15-17-14(11-21-15)16(19,5-2)6-3/h7-11,19H,4-6H2,1-3H3,(H,17,18).
What are the key properties of 4-ethyl-N-[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]benzenesulfinamide?
4-ethyl-N-[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]benzenesulfinamide has a molecular weight of 338.50 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]benzenesulfinamide is sourced from PubChem (CID 143247561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).