N-[(2-methylthiolan-2-yl)methyl]thieno[3,2-c]pyridin-4-amine

C13H16N2S2 — CID 80527912

IUPACN-[(2-methylthiolan-2-yl)methyl]thieno[3,2-c]pyridin-4-amine
SMILESCC1(CNc2nccc3sccc23)CCCS1
InChIInChI=1S/C13H16N2S2/c1-13(5-2-7-17-13)9-15-12-10-4-8-16-11(10)3-6-14-12/h3-4,6,8H,2,5,7,9H2,1H3,(H,14,15)
InChIKeyMEZHLFLGQRNPCN-UHFFFAOYSA-N
MW264.42 g/mol
LogP3.99
Rot. Bonds3

About N-[(2-methylthiolan-2-yl)methyl]thieno[3,2-c]pyridin-4-amine

N-[(2-methylthiolan-2-yl)methyl]thieno[3,2-c]pyridin-4-amine (PubChem CID 80527912) has the molecular formula C13H16N2S2 and a molecular weight of 264.42 g/mol. Its IUPAC name is N-[(2-methylthiolan-2-yl)methyl]thieno[3,2-c]pyridin-4-amine.

Molecular Properties

Compound NameN-[(2-methylthiolan-2-yl)methyl]thieno[3,2-c]pyridin-4-amine
PubChem CID80527912
Molecular FormulaC13H16N2S2
Molecular Weight264.42 g/mol
Exact Mass264.08
IUPAC NameN-[(2-methylthiolan-2-yl)methyl]thieno[3,2-c]pyridin-4-amine
SMILESCC1(CNc2nccc3sccc23)CCCS1
InChIInChI=1S/C13H16N2S2/c1-13(5-2-7-17-13)9-15-12-10-4-8-16-11(10)3-6-14-12/h3-4,6,8H,2,5,7,9H2,1H3,(H,14,15)
InChIKeyMEZHLFLGQRNPCN-UHFFFAOYSA-N
XLogP3.99
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methylthiolan-2-yl)methyl]thieno[3,2-c]pyridin-4-amine?
The IUPAC name of N-[(2-methylthiolan-2-yl)methyl]thieno[3,2-c]pyridin-4-amine (CID 80527912) is N-[(2-methylthiolan-2-yl)methyl]thieno[3,2-c]pyridin-4-amine.
What is the SMILES notation for N-[(2-methylthiolan-2-yl)methyl]thieno[3,2-c]pyridin-4-amine?
The canonical SMILES for N-[(2-methylthiolan-2-yl)methyl]thieno[3,2-c]pyridin-4-amine is CC1(CNc2nccc3sccc23)CCCS1.
What is the InChIKey of N-[(2-methylthiolan-2-yl)methyl]thieno[3,2-c]pyridin-4-amine?
The InChIKey is MEZHLFLGQRNPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S2/c1-13(5-2-7-17-13)9-15-12-10-4-8-16-11(10)3-6-14-12/h3-4,6,8H,2,5,7,9H2,1H3,(H,14,15).
What are the key properties of N-[(2-methylthiolan-2-yl)methyl]thieno[3,2-c]pyridin-4-amine?
N-[(2-methylthiolan-2-yl)methyl]thieno[3,2-c]pyridin-4-amine has a molecular weight of 264.42 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylthiolan-2-yl)methyl]thieno[3,2-c]pyridin-4-amine is sourced from PubChem (CID 80527912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).