N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]methanesulfonamide

C11H13N3O3S2 — CID 2928745

IUPACN-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]methanesulfonamide
SMILESCOc1ccc(Cc2nnc(NS(C)(=O)=O)s2)cc1
InChIInChI=1S/C11H13N3O3S2/c1-17-9-5-3-8(4-6-9)7-10-12-13-11(18-10)14-19(2,15)16/h3-6H,7H2,1-2H3,(H,13,14)
InChIKeyKZZGACDYWJYWPH-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.51
Rot. Bonds5

About N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]methanesulfonamide

N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]methanesulfonamide (PubChem CID 2928745) has the molecular formula C11H13N3O3S2 and a molecular weight of 299.38 g/mol. Its IUPAC name is N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]methanesulfonamide
PubChem CID2928745
Molecular FormulaC11H13N3O3S2
Molecular Weight299.38 g/mol
Exact Mass299.04
IUPAC NameN-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]methanesulfonamide
SMILESCOc1ccc(Cc2nnc(NS(C)(=O)=O)s2)cc1
InChIInChI=1S/C11H13N3O3S2/c1-17-9-5-3-8(4-6-9)7-10-12-13-11(18-10)14-19(2,15)16/h3-6H,7H2,1-2H3,(H,13,14)
InChIKeyKZZGACDYWJYWPH-UHFFFAOYSA-N
XLogP1.51
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methoxyphenoxy)-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 1394635
N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methylbutanamide
CID 3151641
3,5-dimethoxy-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 1077808
2-(4-fluorophenyl)-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 1077863
2,6-dichloro-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 1303432
3-(benzenesulfonamido)-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 17225930
1-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-phenylthiourea
CID 155927238
1-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(4-methoxyphenyl)urea
CID 2852936
2-(4-chlorophenoxy)-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
CID 3394597
N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholine-4-carboxamide
CID 3389875
3-[(4-chlorophenyl)sulfonylamino]-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 17225716
(5-benzyl-1,3,4-thiadiazol-2-yl)sulfamic acid
CID 174221650

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]methanesulfonamide?
The IUPAC name of N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]methanesulfonamide (CID 2928745) is N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]methanesulfonamide.
What is the SMILES notation for N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]methanesulfonamide?
The canonical SMILES for N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]methanesulfonamide is COc1ccc(Cc2nnc(NS(C)(=O)=O)s2)cc1.
What is the InChIKey of N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]methanesulfonamide?
The InChIKey is KZZGACDYWJYWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S2/c1-17-9-5-3-8(4-6-9)7-10-12-13-11(18-10)14-19(2,15)16/h3-6H,7H2,1-2H3,(H,13,14).
What are the key properties of N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]methanesulfonamide?
N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]methanesulfonamide has a molecular weight of 299.38 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]methanesulfonamide is sourced from PubChem (CID 2928745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).