4-(methylsulfanylmethyl)-N-(thiadiazol-4-ylmethyl)pyridin-2-amine

C10H12N4S2 — CID 115908368

IUPAC4-(methylsulfanylmethyl)-N-(thiadiazol-4-ylmethyl)pyridin-2-amine
SMILESCSCc1ccnc(NCc2csnn2)c1
InChIInChI=1S/C10H12N4S2/c1-15-6-8-2-3-11-10(4-8)12-5-9-7-16-14-13-9/h2-4,7H,5-6H2,1H3,(H,11,12)
InChIKeyCBFSANXAPKKXGV-UHFFFAOYSA-N
MW252.37 g/mol
LogP2.41
Rot. Bonds5

About 4-(methylsulfanylmethyl)-N-(thiadiazol-4-ylmethyl)pyridin-2-amine

4-(methylsulfanylmethyl)-N-(thiadiazol-4-ylmethyl)pyridin-2-amine (PubChem CID 115908368) has the molecular formula C10H12N4S2 and a molecular weight of 252.37 g/mol. Its IUPAC name is 4-(methylsulfanylmethyl)-N-(thiadiazol-4-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name4-(methylsulfanylmethyl)-N-(thiadiazol-4-ylmethyl)pyridin-2-amine
PubChem CID115908368
Molecular FormulaC10H12N4S2
Molecular Weight252.37 g/mol
Exact Mass252.05
IUPAC Name4-(methylsulfanylmethyl)-N-(thiadiazol-4-ylmethyl)pyridin-2-amine
SMILESCSCc1ccnc(NCc2csnn2)c1
InChIInChI=1S/C10H12N4S2/c1-15-6-8-2-3-11-10(4-8)12-5-9-7-16-14-13-9/h2-4,7H,5-6H2,1H3,(H,11,12)
InChIKeyCBFSANXAPKKXGV-UHFFFAOYSA-N
XLogP2.41
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(methylsulfanylmethyl)-N-(thiadiazol-4-ylmethyl)pyridin-2-amine?
The IUPAC name of 4-(methylsulfanylmethyl)-N-(thiadiazol-4-ylmethyl)pyridin-2-amine (CID 115908368) is 4-(methylsulfanylmethyl)-N-(thiadiazol-4-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 4-(methylsulfanylmethyl)-N-(thiadiazol-4-ylmethyl)pyridin-2-amine?
The canonical SMILES for 4-(methylsulfanylmethyl)-N-(thiadiazol-4-ylmethyl)pyridin-2-amine is CSCc1ccnc(NCc2csnn2)c1.
What is the InChIKey of 4-(methylsulfanylmethyl)-N-(thiadiazol-4-ylmethyl)pyridin-2-amine?
The InChIKey is CBFSANXAPKKXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4S2/c1-15-6-8-2-3-11-10(4-8)12-5-9-7-16-14-13-9/h2-4,7H,5-6H2,1H3,(H,11,12).
What are the key properties of 4-(methylsulfanylmethyl)-N-(thiadiazol-4-ylmethyl)pyridin-2-amine?
4-(methylsulfanylmethyl)-N-(thiadiazol-4-ylmethyl)pyridin-2-amine has a molecular weight of 252.37 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylsulfanylmethyl)-N-(thiadiazol-4-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 115908368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).