N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-4-(methylamino)butanamide

C8H15N5O3S2 — CID 119737749

IUPACN-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)Nc1nnc(NS(C)(=O)=O)s1
InChIInChI=1S/C8H15N5O3S2/c1-9-5-3-4-6(14)10-7-11-12-8(17-7)13-18(2,15)16/h9H,3-5H2,1-2H3,(H,12,13)(H,10,11,14)
InChIKeyKJQAEUHBWMBGMT-UHFFFAOYSA-N
MW293.37 g/mol
LogP-0.15
Rot. Bonds7

About N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-4-(methylamino)butanamide

N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-4-(methylamino)butanamide (PubChem CID 119737749) has the molecular formula C8H15N5O3S2 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-4-(methylamino)butanamide
PubChem CID119737749
Molecular FormulaC8H15N5O3S2
Molecular Weight293.37 g/mol
Exact Mass293.06
IUPAC NameN-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)Nc1nnc(NS(C)(=O)=O)s1
InChIInChI=1S/C8H15N5O3S2/c1-9-5-3-4-6(14)10-7-11-12-8(17-7)13-18(2,15)16/h9H,3-5H2,1-2H3,(H,12,13)(H,10,11,14)
InChIKeyKJQAEUHBWMBGMT-UHFFFAOYSA-N
XLogP-0.15
TPSA113.08 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-4-(methylamino)butanamide
CID 119745205
3-(1-adamantylcarbamoylamino)-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]propanamide
CID 55978145
2,4-difluoro-N-[3-[[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]benzamide
CID 55818493
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(methylamino)propanamide
CID 107641879
2-(2-ethoxyphenoxy)-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]acetamide
CID 55979406
N-[5-[[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]methyl]-1,3,4-thiadiazol-2-yl]pentanamide
CID 3112369
3-(methanesulfonamido)-N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 134707819
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]propanamide
CID 55818368
N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]-4-(methylamino)butanamide
CID 119775808
N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-4-(methylamino)butanamide
CID 119743801
N-[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]propanamide
CID 71392216
N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-2,2-diphenylacetamide
CID 52725730

Frequently Asked Questions

What is the IUPAC name of N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-4-(methylamino)butanamide?
The IUPAC name of N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-4-(methylamino)butanamide (CID 119737749) is N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-4-(methylamino)butanamide.
What is the SMILES notation for N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-4-(methylamino)butanamide?
The canonical SMILES for N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-4-(methylamino)butanamide is CNCCCC(=O)Nc1nnc(NS(C)(=O)=O)s1.
What is the InChIKey of N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-4-(methylamino)butanamide?
The InChIKey is KJQAEUHBWMBGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O3S2/c1-9-5-3-4-6(14)10-7-11-12-8(17-7)13-18(2,15)16/h9H,3-5H2,1-2H3,(H,12,13)(H,10,11,14).
What are the key properties of N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-4-(methylamino)butanamide?
N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-4-(methylamino)butanamide has a molecular weight of 293.37 g/mol, XLogP of -0.15, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-4-(methylamino)butanamide is sourced from PubChem (CID 119737749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).