N-[(4-methylthiadiazol-5-yl)methyl]pyridin-4-amine

C9H10N4S — CID 130679566

IUPACN-[(4-methylthiadiazol-5-yl)methyl]pyridin-4-amine
SMILESCc1nnsc1CNc1ccncc1
InChIInChI=1S/C9H10N4S/c1-7-9(14-13-12-7)6-11-8-2-4-10-5-3-8/h2-5H,6H2,1H3,(H,10,11)
InChIKeyATQCFFFVZNTYSL-UHFFFAOYSA-N
MW206.27 g/mol
LogP1.85
Rot. Bonds3

About N-[(4-methylthiadiazol-5-yl)methyl]pyridin-4-amine

N-[(4-methylthiadiazol-5-yl)methyl]pyridin-4-amine (PubChem CID 130679566) has the molecular formula C9H10N4S and a molecular weight of 206.27 g/mol. Its IUPAC name is N-[(4-methylthiadiazol-5-yl)methyl]pyridin-4-amine.

Molecular Properties

Compound NameN-[(4-methylthiadiazol-5-yl)methyl]pyridin-4-amine
PubChem CID130679566
Molecular FormulaC9H10N4S
Molecular Weight206.27 g/mol
Exact Mass206.06
IUPAC NameN-[(4-methylthiadiazol-5-yl)methyl]pyridin-4-amine
SMILESCc1nnsc1CNc1ccncc1
InChIInChI=1S/C9H10N4S/c1-7-9(14-13-12-7)6-11-8-2-4-10-5-3-8/h2-5H,6H2,1H3,(H,10,11)
InChIKeyATQCFFFVZNTYSL-UHFFFAOYSA-N
XLogP1.85
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylthiadiazol-5-yl)methyl]pyridin-4-amine?
The IUPAC name of N-[(4-methylthiadiazol-5-yl)methyl]pyridin-4-amine (CID 130679566) is N-[(4-methylthiadiazol-5-yl)methyl]pyridin-4-amine.
What is the SMILES notation for N-[(4-methylthiadiazol-5-yl)methyl]pyridin-4-amine?
The canonical SMILES for N-[(4-methylthiadiazol-5-yl)methyl]pyridin-4-amine is Cc1nnsc1CNc1ccncc1.
What is the InChIKey of N-[(4-methylthiadiazol-5-yl)methyl]pyridin-4-amine?
The InChIKey is ATQCFFFVZNTYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4S/c1-7-9(14-13-12-7)6-11-8-2-4-10-5-3-8/h2-5H,6H2,1H3,(H,10,11).
What are the key properties of N-[(4-methylthiadiazol-5-yl)methyl]pyridin-4-amine?
N-[(4-methylthiadiazol-5-yl)methyl]pyridin-4-amine has a molecular weight of 206.27 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylthiadiazol-5-yl)methyl]pyridin-4-amine is sourced from PubChem (CID 130679566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).