N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-3-pyridin-3-ylpropan-1-amine

C13H18N4S — CID 91840547

IUPACN-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-3-pyridin-3-ylpropan-1-amine
SMILESCc1nnsc1CN(C)CCCc1cccnc1
InChIInChI=1S/C13H18N4S/c1-11-13(18-16-15-11)10-17(2)8-4-6-12-5-3-7-14-9-12/h3,5,7,9H,4,6,8,10H2,1-2H3
InChIKeyAQXCFRGDEZZQSK-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.31
Rot. Bonds6

About N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-3-pyridin-3-ylpropan-1-amine

N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-3-pyridin-3-ylpropan-1-amine (PubChem CID 91840547) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-3-pyridin-3-ylpropan-1-amine.

Molecular Properties

Compound NameN-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-3-pyridin-3-ylpropan-1-amine
PubChem CID91840547
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC NameN-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-3-pyridin-3-ylpropan-1-amine
SMILESCc1nnsc1CN(C)CCCc1cccnc1
InChIInChI=1S/C13H18N4S/c1-11-13(18-16-15-11)10-17(2)8-4-6-12-5-3-7-14-9-12/h3,5,7,9H,4,6,8,10H2,1-2H3
InChIKeyAQXCFRGDEZZQSK-UHFFFAOYSA-N
XLogP2.31
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-3-pyridin-3-ylpropan-1-amine?
The IUPAC name of N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-3-pyridin-3-ylpropan-1-amine (CID 91840547) is N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-3-pyridin-3-ylpropan-1-amine.
What is the SMILES notation for N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-3-pyridin-3-ylpropan-1-amine?
The canonical SMILES for N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-3-pyridin-3-ylpropan-1-amine is Cc1nnsc1CN(C)CCCc1cccnc1.
What is the InChIKey of N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-3-pyridin-3-ylpropan-1-amine?
The InChIKey is AQXCFRGDEZZQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-11-13(18-16-15-11)10-17(2)8-4-6-12-5-3-7-14-9-12/h3,5,7,9H,4,6,8,10H2,1-2H3.
What are the key properties of N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-3-pyridin-3-ylpropan-1-amine?
N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-3-pyridin-3-ylpropan-1-amine has a molecular weight of 262.38 g/mol, XLogP of 2.31, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-3-pyridin-3-ylpropan-1-amine is sourced from PubChem (CID 91840547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).