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

C15H15N7S2 — CID 138457524

IUPACN-methyl-1-[1-(1,3,4-thiadiazol-2-yl)pyrrol-2-yl]-N-[[1-(1,3,4-thiadiazol-2-yl)pyrrol-2-yl]methyl]methanamine
SMILESCN(Cc1cccn1-c1nncs1)Cc1cccn1-c1nncs1
InChIInChI=1S/C15H15N7S2/c1-20(8-12-4-2-6-21(12)14-18-16-10-23-14)9-13-5-3-7-22(13)15-19-17-11-24-15/h2-7,10-11H,8-9H2,1H3
InChIKeyZZHIHIQSEZRHDO-UHFFFAOYSA-N
MW357.47 g/mol
LogP2.60
Rot. Bonds6

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

N-methyl-1-[1-(1,3,4-thiadiazol-2-yl)pyrrol-2-yl]-N-[[1-(1,3,4-thiadiazol-2-yl)pyrrol-2-yl]methyl]methanamine (PubChem CID 138457524) has the molecular formula C15H15N7S2 and a molecular weight of 357.47 g/mol. Its IUPAC name is N-methyl-1-[1-(1,3,4-thiadiazol-2-yl)pyrrol-2-yl]-N-[[1-(1,3,4-thiadiazol-2-yl)pyrrol-2-yl]methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(1,3,4-thiadiazol-2-yl)pyrrol-2-yl]-N-[[1-(1,3,4-thiadiazol-2-yl)pyrrol-2-yl]methyl]methanamine
PubChem CID138457524
Molecular FormulaC15H15N7S2
Molecular Weight357.47 g/mol
Exact Mass357.08
IUPAC NameN-methyl-1-[1-(1,3,4-thiadiazol-2-yl)pyrrol-2-yl]-N-[[1-(1,3,4-thiadiazol-2-yl)pyrrol-2-yl]methyl]methanamine
SMILESCN(Cc1cccn1-c1nncs1)Cc1cccn1-c1nncs1
InChIInChI=1S/C15H15N7S2/c1-20(8-12-4-2-6-21(12)14-18-16-10-23-14)9-13-5-3-7-22(13)15-19-17-11-24-15/h2-7,10-11H,8-9H2,1H3
InChIKeyZZHIHIQSEZRHDO-UHFFFAOYSA-N
XLogP2.60
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.47
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(1,3,4-thiadiazol-2-yl)pyrrol-2-yl]-N-[[1-(1,3,4-thiadiazol-2-yl)pyrrol-2-yl]methyl]methanamine?
The IUPAC name of N-methyl-1-[1-(1,3,4-thiadiazol-2-yl)pyrrol-2-yl]-N-[[1-(1,3,4-thiadiazol-2-yl)pyrrol-2-yl]methyl]methanamine (CID 138457524) is N-methyl-1-[1-(1,3,4-thiadiazol-2-yl)pyrrol-2-yl]-N-[[1-(1,3,4-thiadiazol-2-yl)pyrrol-2-yl]methyl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(1,3,4-thiadiazol-2-yl)pyrrol-2-yl]-N-[[1-(1,3,4-thiadiazol-2-yl)pyrrol-2-yl]methyl]methanamine?
The canonical SMILES for N-methyl-1-[1-(1,3,4-thiadiazol-2-yl)pyrrol-2-yl]-N-[[1-(1,3,4-thiadiazol-2-yl)pyrrol-2-yl]methyl]methanamine is CN(Cc1cccn1-c1nncs1)Cc1cccn1-c1nncs1.
What is the InChIKey of N-methyl-1-[1-(1,3,4-thiadiazol-2-yl)pyrrol-2-yl]-N-[[1-(1,3,4-thiadiazol-2-yl)pyrrol-2-yl]methyl]methanamine?
The InChIKey is ZZHIHIQSEZRHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7S2/c1-20(8-12-4-2-6-21(12)14-18-16-10-23-14)9-13-5-3-7-22(13)15-19-17-11-24-15/h2-7,10-11H,8-9H2,1H3.
What are the key properties of N-methyl-1-[1-(1,3,4-thiadiazol-2-yl)pyrrol-2-yl]-N-[[1-(1,3,4-thiadiazol-2-yl)pyrrol-2-yl]methyl]methanamine?
N-methyl-1-[1-(1,3,4-thiadiazol-2-yl)pyrrol-2-yl]-N-[[1-(1,3,4-thiadiazol-2-yl)pyrrol-2-yl]methyl]methanamine has a molecular weight of 357.47 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(1,3,4-thiadiazol-2-yl)pyrrol-2-yl]-N-[[1-(1,3,4-thiadiazol-2-yl)pyrrol-2-yl]methyl]methanamine is sourced from PubChem (CID 138457524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).