N-benzyl-N,5-dimethyl-1,3,4-thiadiazol-2-amine

C11H13N3S — CID 58663770

IUPACN-benzyl-N,5-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(N(C)Cc2ccccc2)s1
InChIInChI=1S/C11H13N3S/c1-9-12-13-11(15-9)14(2)8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3
InChIKeyVVIWKYMPIBUXSP-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.48
Rot. Bonds3

About N-benzyl-N,5-dimethyl-1,3,4-thiadiazol-2-amine

N-benzyl-N,5-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 58663770) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is N-benzyl-N,5-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-benzyl-N,5-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID58663770
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC NameN-benzyl-N,5-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(N(C)Cc2ccccc2)s1
InChIInChI=1S/C11H13N3S/c1-9-12-13-11(15-9)14(2)8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3
InChIKeyVVIWKYMPIBUXSP-UHFFFAOYSA-N
XLogP2.48
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]benzonitrile
CID 64983150
N'-hydroxy-3-[[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]benzenecarboximidamide
CID 77059764
N-[(2-methoxyphenyl)methyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine
CID 171324166
N-benzyl-N,5-dimethyl-1,3,4-thiadiazole-2-sulfonamide
CID 102297761
5-benzyl-N-[[3-(dimethylamino)phenyl]methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 133451334
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N,5-dimethyl-1,3,4-thiadiazol-2-amine
CID 131901755
1-[2-[benzyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanol
CID 62753842
N,5-dimethyl-N-(pyrazin-2-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 133433814
N-benzyl-5-(chloromethyl)-N-methyl-1,3-thiazol-2-amine
CID 130569174
1-[5-[benzyl(methyl)amino]-1,3,4-thiadiazol-2-yl]-3-(2,3-dimethylphenyl)urea
CID 22509855
1-N-benzyl-1-N-methyl-2-N-(5-methyl-1,3,4-thiadiazol-2-yl)propane-1,2-diamine
CID 133435889
N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1-(4-phenylphenyl)methanamine
CID 75399541

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N,5-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-benzyl-N,5-dimethyl-1,3,4-thiadiazol-2-amine (CID 58663770) is N-benzyl-N,5-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-benzyl-N,5-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-benzyl-N,5-dimethyl-1,3,4-thiadiazol-2-amine is Cc1nnc(N(C)Cc2ccccc2)s1.
What is the InChIKey of N-benzyl-N,5-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is VVIWKYMPIBUXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S/c1-9-12-13-11(15-9)14(2)8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3.
What are the key properties of N-benzyl-N,5-dimethyl-1,3,4-thiadiazol-2-amine?
N-benzyl-N,5-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 219.31 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N,5-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 58663770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).