N-methyl-1-(thiadiazol-4-yl)-1-thiophen-3-ylmethanamine

C8H9N3S2 — CID 105153904

IUPACN-methyl-1-(thiadiazol-4-yl)-1-thiophen-3-ylmethanamine
SMILESCNC(c1ccsc1)c1csnn1
InChIInChI=1S/C8H9N3S2/c1-9-8(6-2-3-12-4-6)7-5-13-11-10-7/h2-5,8-9H,1H3
InChIKeyGNISJQLRMBASNA-UHFFFAOYSA-N
MW211.32 g/mol
LogP1.91
Rot. Bonds3

About N-methyl-1-(thiadiazol-4-yl)-1-thiophen-3-ylmethanamine

N-methyl-1-(thiadiazol-4-yl)-1-thiophen-3-ylmethanamine (PubChem CID 105153904) has the molecular formula C8H9N3S2 and a molecular weight of 211.32 g/mol. Its IUPAC name is N-methyl-1-(thiadiazol-4-yl)-1-thiophen-3-ylmethanamine.

Molecular Properties

Compound NameN-methyl-1-(thiadiazol-4-yl)-1-thiophen-3-ylmethanamine
PubChem CID105153904
Molecular FormulaC8H9N3S2
Molecular Weight211.32 g/mol
Exact Mass211.02
IUPAC NameN-methyl-1-(thiadiazol-4-yl)-1-thiophen-3-ylmethanamine
SMILESCNC(c1ccsc1)c1csnn1
InChIInChI=1S/C8H9N3S2/c1-9-8(6-2-3-12-4-6)7-5-13-11-10-7/h2-5,8-9H,1H3
InChIKeyGNISJQLRMBASNA-UHFFFAOYSA-N
XLogP1.91
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.32
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-N-methyl-1-(thiadiazol-4-yl)methanamine
CID 105076130
1-(3,6-dimethylpyridazin-4-yl)-N-methyl-1-thiophen-3-ylmethanamine
CID 105153970
N-methyl-1-(1-methylimidazol-4-yl)-1-thiophen-3-ylmethanamine
CID 107975644
1-(4-chloro-3-methoxyphenyl)-N-methyl-1-(thiadiazol-4-yl)methanamine
CID 105164456
1-(1-benzothiophen-7-yl)-N-methyl-1-(thiadiazol-4-yl)methanamine
CID 105172720
N-methyl-1-(2,3,4,5,6-pentafluorophenyl)-1-thiophen-3-ylmethanamine
CID 104988232
1-(3,4-dimethoxyphenyl)-N-methyl-1-thiophen-3-ylmethanamine
CID 43481131
N-methyl-1-(2-methyl-4-pyridinyl)-1-thiophen-3-ylmethanamine
CID 106755405
(1S)-N-methyl-1-thiophen-3-ylethanamine
CID 92981912
N-[thiadiazol-4-yl(thiophen-2-yl)methyl]ethanamine
CID 105100443
N-methyl-1-(3-methyltriazol-4-yl)-1-(thiadiazol-4-yl)methanamine
CID 105184460
1-(3-chloro-2-pyridinyl)-N-methyl-1-thiophen-3-ylmethanamine
CID 103444122

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(thiadiazol-4-yl)-1-thiophen-3-ylmethanamine?
The IUPAC name of N-methyl-1-(thiadiazol-4-yl)-1-thiophen-3-ylmethanamine (CID 105153904) is N-methyl-1-(thiadiazol-4-yl)-1-thiophen-3-ylmethanamine.
What is the SMILES notation for N-methyl-1-(thiadiazol-4-yl)-1-thiophen-3-ylmethanamine?
The canonical SMILES for N-methyl-1-(thiadiazol-4-yl)-1-thiophen-3-ylmethanamine is CNC(c1ccsc1)c1csnn1.
What is the InChIKey of N-methyl-1-(thiadiazol-4-yl)-1-thiophen-3-ylmethanamine?
The InChIKey is GNISJQLRMBASNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3S2/c1-9-8(6-2-3-12-4-6)7-5-13-11-10-7/h2-5,8-9H,1H3.
What are the key properties of N-methyl-1-(thiadiazol-4-yl)-1-thiophen-3-ylmethanamine?
N-methyl-1-(thiadiazol-4-yl)-1-thiophen-3-ylmethanamine has a molecular weight of 211.32 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(thiadiazol-4-yl)-1-thiophen-3-ylmethanamine is sourced from PubChem (CID 105153904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).