N-methyl-1-(4-methylthiadiazol-5-yl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine

C9H13N5S2 — CID 118787766

IUPACN-methyl-1-(4-methylthiadiazol-5-yl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine
SMILESCc1nnc(CN(C)Cc2snnc2C)s1
InChIInChI=1S/C9H13N5S2/c1-6-8(16-13-10-6)4-14(3)5-9-12-11-7(2)15-9/h4-5H2,1-3H3
InChIKeyXOTRVLUJRRRBGY-UHFFFAOYSA-N
MW255.37 g/mol
LogP1.64
Rot. Bonds4

About N-methyl-1-(4-methylthiadiazol-5-yl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine

N-methyl-1-(4-methylthiadiazol-5-yl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine (PubChem CID 118787766) has the molecular formula C9H13N5S2 and a molecular weight of 255.37 g/mol. Its IUPAC name is N-methyl-1-(4-methylthiadiazol-5-yl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(4-methylthiadiazol-5-yl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine
PubChem CID118787766
Molecular FormulaC9H13N5S2
Molecular Weight255.37 g/mol
Exact Mass255.06
IUPAC NameN-methyl-1-(4-methylthiadiazol-5-yl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine
SMILESCc1nnc(CN(C)Cc2snnc2C)s1
InChIInChI=1S/C9H13N5S2/c1-6-8(16-13-10-6)4-14(3)5-9-12-11-7(2)15-9/h4-5H2,1-3H3
InChIKeyXOTRVLUJRRRBGY-UHFFFAOYSA-N
XLogP1.64
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylthiadiazol-5-yl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine?
The IUPAC name of N-methyl-1-(4-methylthiadiazol-5-yl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine (CID 118787766) is N-methyl-1-(4-methylthiadiazol-5-yl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine.
What is the SMILES notation for N-methyl-1-(4-methylthiadiazol-5-yl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine?
The canonical SMILES for N-methyl-1-(4-methylthiadiazol-5-yl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine is Cc1nnc(CN(C)Cc2snnc2C)s1.
What is the InChIKey of N-methyl-1-(4-methylthiadiazol-5-yl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine?
The InChIKey is XOTRVLUJRRRBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5S2/c1-6-8(16-13-10-6)4-14(3)5-9-12-11-7(2)15-9/h4-5H2,1-3H3.
What are the key properties of N-methyl-1-(4-methylthiadiazol-5-yl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine?
N-methyl-1-(4-methylthiadiazol-5-yl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine has a molecular weight of 255.37 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylthiadiazol-5-yl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine is sourced from PubChem (CID 118787766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).