1-N-benzyl-1-N-methyl-2-N-(5-methyl-1,3,4-thiadiazol-2-yl)propane-1,2-diamine

C14H20N4S — CID 133435889

IUPAC1-N-benzyl-1-N-methyl-2-N-(5-methyl-1,3,4-thiadiazol-2-yl)propane-1,2-diamine
SMILESCc1nnc(NC(C)CN(C)Cc2ccccc2)s1
InChIInChI=1S/C14H20N4S/c1-11(15-14-17-16-12(2)19-14)9-18(3)10-13-7-5-4-6-8-13/h4-8,11H,9-10H2,1-3H3,(H,15,17)
InChIKeyGJJWJQUEBQOAAJ-UHFFFAOYSA-N
MW276.41 g/mol
LogP2.78
Rot. Bonds6

About 1-N-benzyl-1-N-methyl-2-N-(5-methyl-1,3,4-thiadiazol-2-yl)propane-1,2-diamine

1-N-benzyl-1-N-methyl-2-N-(5-methyl-1,3,4-thiadiazol-2-yl)propane-1,2-diamine (PubChem CID 133435889) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is 1-N-benzyl-1-N-methyl-2-N-(5-methyl-1,3,4-thiadiazol-2-yl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-benzyl-1-N-methyl-2-N-(5-methyl-1,3,4-thiadiazol-2-yl)propane-1,2-diamine
PubChem CID133435889
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC Name1-N-benzyl-1-N-methyl-2-N-(5-methyl-1,3,4-thiadiazol-2-yl)propane-1,2-diamine
SMILESCc1nnc(NC(C)CN(C)Cc2ccccc2)s1
InChIInChI=1S/C14H20N4S/c1-11(15-14-17-16-12(2)19-14)9-18(3)10-13-7-5-4-6-8-13/h4-8,11H,9-10H2,1-3H3,(H,15,17)
InChIKeyGJJWJQUEBQOAAJ-UHFFFAOYSA-N
XLogP2.78
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[benzyl(methyl)amino]propan-2-ylamino]-1,3-thiazole-5-sulfonamide
CID 133435926
1-N-benzyl-2-N-(2-fluoroethyl)-1-N-methylpropane-1,2-diamine
CID 130563731
5-methyl-N-[4-(3-methylphenyl)butan-2-yl]-1,3,4-thiadiazol-2-amine
CID 107648361
2-N-[1-[benzyl(methyl)amino]propan-2-yl]propane-1,2-diamine
CID 130563657
1-N-benzyl-1-N-methyl-2-N-(4-methylsulfonylphenyl)propane-1,2-diamine
CID 133452642
N-benzyl-N,5-dimethyl-1,3,4-thiadiazol-2-amine
CID 58663770
N-benzyl-N,2-dimethyl-N'-propylpropane-1,3-diamine
CID 62424928
1-N-benzyl-2-N-but-3-enyl-1-N-methylpropane-1,2-diamine
CID 130563719
2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-phenylethanol
CID 64982613
N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1-(4-phenylphenyl)methanamine
CID 75399541
6-[1-[benzyl(methyl)amino]propan-2-ylamino]-3-chloropyridine-2-carbonitrile
CID 133435878
1-N-benzyl-1-N-methyl-2-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]propane-1,2-diamine
CID 133435816

Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-1-N-methyl-2-N-(5-methyl-1,3,4-thiadiazol-2-yl)propane-1,2-diamine?
The IUPAC name of 1-N-benzyl-1-N-methyl-2-N-(5-methyl-1,3,4-thiadiazol-2-yl)propane-1,2-diamine (CID 133435889) is 1-N-benzyl-1-N-methyl-2-N-(5-methyl-1,3,4-thiadiazol-2-yl)propane-1,2-diamine.
What is the SMILES notation for 1-N-benzyl-1-N-methyl-2-N-(5-methyl-1,3,4-thiadiazol-2-yl)propane-1,2-diamine?
The canonical SMILES for 1-N-benzyl-1-N-methyl-2-N-(5-methyl-1,3,4-thiadiazol-2-yl)propane-1,2-diamine is Cc1nnc(NC(C)CN(C)Cc2ccccc2)s1.
What is the InChIKey of 1-N-benzyl-1-N-methyl-2-N-(5-methyl-1,3,4-thiadiazol-2-yl)propane-1,2-diamine?
The InChIKey is GJJWJQUEBQOAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-11(15-14-17-16-12(2)19-14)9-18(3)10-13-7-5-4-6-8-13/h4-8,11H,9-10H2,1-3H3,(H,15,17).
What are the key properties of 1-N-benzyl-1-N-methyl-2-N-(5-methyl-1,3,4-thiadiazol-2-yl)propane-1,2-diamine?
1-N-benzyl-1-N-methyl-2-N-(5-methyl-1,3,4-thiadiazol-2-yl)propane-1,2-diamine has a molecular weight of 276.41 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-1-N-methyl-2-N-(5-methyl-1,3,4-thiadiazol-2-yl)propane-1,2-diamine is sourced from PubChem (CID 133435889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).