N-methyl-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyridin-2-amine

C9H10N4S2 — CID 62188235

IUPACN-methyl-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyridin-2-amine
SMILESCNc1ccc(CSc2nncs2)cn1
InChIInChI=1S/C9H10N4S2/c1-10-8-3-2-7(4-11-8)5-14-9-13-12-6-15-9/h2-4,6H,5H2,1H3,(H,10,11)
InChIKeyGKYKELDGJUOQOC-UHFFFAOYSA-N
MW238.34 g/mol
LogP2.27
Rot. Bonds4

About N-methyl-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyridin-2-amine

N-methyl-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyridin-2-amine (PubChem CID 62188235) has the molecular formula C9H10N4S2 and a molecular weight of 238.34 g/mol. Its IUPAC name is N-methyl-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyridin-2-amine
PubChem CID62188235
Molecular FormulaC9H10N4S2
Molecular Weight238.34 g/mol
Exact Mass238.03
IUPAC NameN-methyl-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyridin-2-amine
SMILESCNc1ccc(CSc2nncs2)cn1
InChIInChI=1S/C9H10N4S2/c1-10-8-3-2-7(4-11-8)5-14-9-13-12-6-15-9/h2-4,6H,5H2,1H3,(H,10,11)
InChIKeyGKYKELDGJUOQOC-UHFFFAOYSA-N
XLogP2.27
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyridin-2-amine?
The IUPAC name of N-methyl-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyridin-2-amine (CID 62188235) is N-methyl-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyridin-2-amine.
What is the SMILES notation for N-methyl-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyridin-2-amine?
The canonical SMILES for N-methyl-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyridin-2-amine is CNc1ccc(CSc2nncs2)cn1.
What is the InChIKey of N-methyl-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyridin-2-amine?
The InChIKey is GKYKELDGJUOQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4S2/c1-10-8-3-2-7(4-11-8)5-14-9-13-12-6-15-9/h2-4,6H,5H2,1H3,(H,10,11).
What are the key properties of N-methyl-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyridin-2-amine?
N-methyl-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyridin-2-amine has a molecular weight of 238.34 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyridin-2-amine is sourced from PubChem (CID 62188235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).