N-methyl-1-(2-methylthiophen-3-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine

C9H11N3S2 — CID 102840364

IUPACN-methyl-1-(2-methylthiophen-3-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine
SMILESCNC(c1cnsn1)c1ccsc1C
InChIInChI=1S/C9H11N3S2/c1-6-7(3-4-13-6)9(10-2)8-5-11-14-12-8/h3-5,9-10H,1-2H3
InChIKeyIHLQYEBGVYEXPX-UHFFFAOYSA-N
MW225.34 g/mol
LogP2.22
Rot. Bonds3

About N-methyl-1-(2-methylthiophen-3-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine

N-methyl-1-(2-methylthiophen-3-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine (PubChem CID 102840364) has the molecular formula C9H11N3S2 and a molecular weight of 225.34 g/mol. Its IUPAC name is N-methyl-1-(2-methylthiophen-3-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(2-methylthiophen-3-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine
PubChem CID102840364
Molecular FormulaC9H11N3S2
Molecular Weight225.34 g/mol
Exact Mass225.04
IUPAC NameN-methyl-1-(2-methylthiophen-3-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine
SMILESCNC(c1cnsn1)c1ccsc1C
InChIInChI=1S/C9H11N3S2/c1-6-7(3-4-13-6)9(10-2)8-5-11-14-12-8/h3-5,9-10H,1-2H3
InChIKeyIHLQYEBGVYEXPX-UHFFFAOYSA-N
XLogP2.22
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-bromothiophen-2-yl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine
CID 105172947
1-(2,5-dimethylphenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine
CID 105120137
N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-1-(1,2,5-thiadiazol-3-yl)methanamine
CID 102757503
N-methyl-1-(2-methylthiophen-3-yl)-1-quinolin-2-ylmethanamine
CID 102832467
N-methyl-1-(2-methylthiophen-3-yl)-1-(3-methylthiophen-2-yl)methanamine
CID 102841226
N-methyl-1-(1,2,5-thiadiazol-3-yl)-1-[2-(trifluoromethoxy)phenyl]methanamine
CID 105141525
N-methyl-1-(2-methylpyrazol-3-yl)-1-(2-methylthiophen-3-yl)methanamine
CID 102841118
N-methyl-1-(4-methylthiadiazol-5-yl)-1-(2-methylthiophen-3-yl)methanamine
CID 102841311
1-(3-methoxy-4-pyridinyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine
CID 102841398
1-(3,4-difluorophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine
CID 105145535
1-(4-tert-butylphenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine
CID 102841861
1-(2,6-dimethoxyphenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine
CID 102841471

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylthiophen-3-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine?
The IUPAC name of N-methyl-1-(2-methylthiophen-3-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine (CID 102840364) is N-methyl-1-(2-methylthiophen-3-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine.
What is the SMILES notation for N-methyl-1-(2-methylthiophen-3-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine?
The canonical SMILES for N-methyl-1-(2-methylthiophen-3-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine is CNC(c1cnsn1)c1ccsc1C.
What is the InChIKey of N-methyl-1-(2-methylthiophen-3-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine?
The InChIKey is IHLQYEBGVYEXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S2/c1-6-7(3-4-13-6)9(10-2)8-5-11-14-12-8/h3-5,9-10H,1-2H3.
What are the key properties of N-methyl-1-(2-methylthiophen-3-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine?
N-methyl-1-(2-methylthiophen-3-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine has a molecular weight of 225.34 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylthiophen-3-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine is sourced from PubChem (CID 102840364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).