N-methyl-3-thiophen-2-yl-1,2,4-thiadiazol-5-amine

C7H7N3S2 — CID 2746626

IUPACN-methyl-3-thiophen-2-yl-1,2,4-thiadiazol-5-amine
SMILESCNc1nc(-c2cccs2)ns1
InChIInChI=1S/C7H7N3S2/c1-8-7-9-6(10-12-7)5-3-2-4-11-5/h2-4H,1H3,(H,8,9,10)
InChIKeyYTFLGLNSAQJWSD-UHFFFAOYSA-N
MW197.29 g/mol
LogP2.31
Rot. Bonds2

About N-methyl-3-thiophen-2-yl-1,2,4-thiadiazol-5-amine

N-methyl-3-thiophen-2-yl-1,2,4-thiadiazol-5-amine (PubChem CID 2746626) has the molecular formula C7H7N3S2 and a molecular weight of 197.29 g/mol. Its IUPAC name is N-methyl-3-thiophen-2-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-methyl-3-thiophen-2-yl-1,2,4-thiadiazol-5-amine
PubChem CID2746626
Molecular FormulaC7H7N3S2
Molecular Weight197.29 g/mol
Exact Mass197.01
IUPAC NameN-methyl-3-thiophen-2-yl-1,2,4-thiadiazol-5-amine
SMILESCNc1nc(-c2cccs2)ns1
InChIInChI=1S/C7H7N3S2/c1-8-7-9-6(10-12-7)5-3-2-4-11-5/h2-4H,1H3,(H,8,9,10)
InChIKeyYTFLGLNSAQJWSD-UHFFFAOYSA-N
XLogP2.31
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.29
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-thiophen-2-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-methyl-3-thiophen-2-yl-1,2,4-thiadiazol-5-amine (CID 2746626) is N-methyl-3-thiophen-2-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-methyl-3-thiophen-2-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-methyl-3-thiophen-2-yl-1,2,4-thiadiazol-5-amine is CNc1nc(-c2cccs2)ns1.
What is the InChIKey of N-methyl-3-thiophen-2-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is YTFLGLNSAQJWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3S2/c1-8-7-9-6(10-12-7)5-3-2-4-11-5/h2-4H,1H3,(H,8,9,10).
What are the key properties of N-methyl-3-thiophen-2-yl-1,2,4-thiadiazol-5-amine?
N-methyl-3-thiophen-2-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 197.29 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-thiophen-2-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 2746626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).