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

C9H10N4O2S2 — CID 70285052

IUPACN-[4-(5-amino-1,3,4-thiadiazol-2-yl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2nnc(N)s2)cc1
InChIInChI=1S/C9H10N4O2S2/c1-17(14,15)13-7-4-2-6(3-5-7)8-11-12-9(10)16-8/h2-5,13H,1H3,(H2,10,12)
InChIKeyBOGNGKDURDUBMC-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.16
Rot. Bonds3

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

N-[4-(5-amino-1,3,4-thiadiazol-2-yl)phenyl]methanesulfonamide (PubChem CID 70285052) has the molecular formula C9H10N4O2S2 and a molecular weight of 270.34 g/mol. Its IUPAC name is N-[4-(5-amino-1,3,4-thiadiazol-2-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(5-amino-1,3,4-thiadiazol-2-yl)phenyl]methanesulfonamide
PubChem CID70285052
Molecular FormulaC9H10N4O2S2
Molecular Weight270.34 g/mol
Exact Mass270.02
IUPAC NameN-[4-(5-amino-1,3,4-thiadiazol-2-yl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2nnc(N)s2)cc1
InChIInChI=1S/C9H10N4O2S2/c1-17(14,15)13-7-4-2-6(3-5-7)8-11-12-9(10)16-8/h2-5,13H,1H3,(H2,10,12)
InChIKeyBOGNGKDURDUBMC-UHFFFAOYSA-N
XLogP1.16
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 692882
N-[4-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 9330105
2-amino-5-(methanesulfonamido)benzamide
CID 59583438
N-[4-[6-(6-methyl-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-yl]phenyl]methanesulfonamide
CID 164804574
N-[4-[3-amino-4-(trifluoromethyl)phenyl]phenyl]methanesulfonamide
CID 11232768
N-[4-(aminomethyl)phenyl]methanesulfonamide;ethane
CID 142116771
5-[4-(4-ethoxyphenyl)phenyl]-1,3,4-thiadiazol-2-amine
CID 22713200
2-amino-5-[4-(methanesulfonamido)phenyl]pyridine-3-carboxamide
CID 126674978
N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]methanesulfonamide
CID 9330073
5-(3-methyl-4-nitrophenyl)-1,3,4-thiadiazol-2-amine
CID 3832219
5-[4-(methoxymethoxy)phenyl]-1,3,4-thiadiazol-2-amine
CID 84616743
4-[4-(methanesulfonamido)phenyl]benzenesulfonic acid
CID 90200210

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-amino-1,3,4-thiadiazol-2-yl)phenyl]methanesulfonamide?
The IUPAC name of N-[4-(5-amino-1,3,4-thiadiazol-2-yl)phenyl]methanesulfonamide (CID 70285052) is N-[4-(5-amino-1,3,4-thiadiazol-2-yl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(5-amino-1,3,4-thiadiazol-2-yl)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-(5-amino-1,3,4-thiadiazol-2-yl)phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(-c2nnc(N)s2)cc1.
What is the InChIKey of N-[4-(5-amino-1,3,4-thiadiazol-2-yl)phenyl]methanesulfonamide?
The InChIKey is BOGNGKDURDUBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2S2/c1-17(14,15)13-7-4-2-6(3-5-7)8-11-12-9(10)16-8/h2-5,13H,1H3,(H2,10,12).
What are the key properties of N-[4-(5-amino-1,3,4-thiadiazol-2-yl)phenyl]methanesulfonamide?
N-[4-(5-amino-1,3,4-thiadiazol-2-yl)phenyl]methanesulfonamide has a molecular weight of 270.34 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-amino-1,3,4-thiadiazol-2-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 70285052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).