1-[4-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide

C14H20N4O2S2 — CID 71996691

IUPAC1-[4-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide
SMILESCc1nsc(NCc2ccc(CS(=O)(=O)NC(C)C)cc2)n1
InChIInChI=1S/C14H20N4O2S2/c1-10(2)18-22(19,20)9-13-6-4-12(5-7-13)8-15-14-16-11(3)17-21-14/h4-7,10,18H,8-9H2,1-3H3,(H,15,16,17)
InChIKeyBENQZARHEWFTRU-UHFFFAOYSA-N
MW340.47 g/mol
LogP2.29
Rot. Bonds7

About 1-[4-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide

1-[4-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide (PubChem CID 71996691) has the molecular formula C14H20N4O2S2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-[4-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide.

Molecular Properties

Compound Name1-[4-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide
PubChem CID71996691
Molecular FormulaC14H20N4O2S2
Molecular Weight340.47 g/mol
Exact Mass340.10
IUPAC Name1-[4-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide
SMILESCc1nsc(NCc2ccc(CS(=O)(=O)NC(C)C)cc2)n1
InChIInChI=1S/C14H20N4O2S2/c1-10(2)18-22(19,20)9-13-6-4-12(5-7-13)8-15-14-16-11(3)17-21-14/h4-7,10,18H,8-9H2,1-3H3,(H,15,16,17)
InChIKeyBENQZARHEWFTRU-UHFFFAOYSA-N
XLogP2.29
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide?
The IUPAC name of 1-[4-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide (CID 71996691) is 1-[4-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide.
What is the SMILES notation for 1-[4-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide?
The canonical SMILES for 1-[4-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide is Cc1nsc(NCc2ccc(CS(=O)(=O)NC(C)C)cc2)n1.
What is the InChIKey of 1-[4-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide?
The InChIKey is BENQZARHEWFTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S2/c1-10(2)18-22(19,20)9-13-6-4-12(5-7-13)8-15-14-16-11(3)17-21-14/h4-7,10,18H,8-9H2,1-3H3,(H,15,16,17).
What are the key properties of 1-[4-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide?
1-[4-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide has a molecular weight of 340.47 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide is sourced from PubChem (CID 71996691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).