5-[2-(aminomethyl)-5-methoxyphenyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine

C12H16N4OS2 — CID 81305407

IUPAC5-[2-(aminomethyl)-5-methoxyphenyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCOc1ccc(CN)c(Sc2nnc(N(C)C)s2)c1
InChIInChI=1S/C12H16N4OS2/c1-16(2)11-14-15-12(19-11)18-10-6-9(17-3)5-4-8(10)7-13/h4-6H,7,13H2,1-3H3
InChIKeyXMWXSWVGXFVUCJ-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.22
Rot. Bonds5

About 5-[2-(aminomethyl)-5-methoxyphenyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine

5-[2-(aminomethyl)-5-methoxyphenyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 81305407) has the molecular formula C12H16N4OS2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 5-[2-(aminomethyl)-5-methoxyphenyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[2-(aminomethyl)-5-methoxyphenyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID81305407
Molecular FormulaC12H16N4OS2
Molecular Weight296.42 g/mol
Exact Mass296.08
IUPAC Name5-[2-(aminomethyl)-5-methoxyphenyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCOc1ccc(CN)c(Sc2nnc(N(C)C)s2)c1
InChIInChI=1S/C12H16N4OS2/c1-16(2)11-14-15-12(19-11)18-10-6-9(17-3)5-4-8(10)7-13/h4-6H,7,13H2,1-3H3
InChIKeyXMWXSWVGXFVUCJ-UHFFFAOYSA-N
XLogP2.22
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[2-(aminomethyl)-5-methoxyphenyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine with MolForge

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Related Compounds

[4-methoxy-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methanamine
CID 115383195
2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-4-methoxybenzoic acid
CID 81309694
5-[2-(aminomethyl)-4-fluorophenyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63738353
[4-methoxy-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanamine
CID 81304317
5-[3-[4-(aminomethyl)phenoxy]propylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63736966
[2-(2,5-dichlorophenyl)sulfanyl-4-methoxyphenyl]methanamine
CID 81303475
[2-[(5-chloro-2-pyridinyl)sulfanyl]-4-methoxyphenyl]methanamine
CID 81304113
5-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63804807
5-[2-[(2-methoxyethylamino)methyl]phenyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63804810
2-(aminomethyl)-5-methoxy-N-(4-methoxyphenyl)-N-methylaniline
CID 81299533
5-(2-amino-5-ethoxy-4-fluorophenyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63737456
[2-(1,3-benzoxazol-2-ylsulfanyl)-4-methoxyphenyl]methanamine
CID 81304611

Frequently Asked Questions

What is the IUPAC name of 5-[2-(aminomethyl)-5-methoxyphenyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[2-(aminomethyl)-5-methoxyphenyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 81305407) is 5-[2-(aminomethyl)-5-methoxyphenyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[2-(aminomethyl)-5-methoxyphenyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[2-(aminomethyl)-5-methoxyphenyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine is COc1ccc(CN)c(Sc2nnc(N(C)C)s2)c1.
What is the InChIKey of 5-[2-(aminomethyl)-5-methoxyphenyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is XMWXSWVGXFVUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS2/c1-16(2)11-14-15-12(19-11)18-10-6-9(17-3)5-4-8(10)7-13/h4-6H,7,13H2,1-3H3.
What are the key properties of 5-[2-(aminomethyl)-5-methoxyphenyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-[2-(aminomethyl)-5-methoxyphenyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 296.42 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(aminomethyl)-5-methoxyphenyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 81305407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).