N-[(6-methyl-2-pyridinyl)methyl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide

C12H16N6OS — CID 47353750

IUPACN-[(6-methyl-2-pyridinyl)methyl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide
SMILESCc1cccc(CNC(=O)CCSc2nnnn2C)n1
InChIInChI=1S/C12H16N6OS/c1-9-4-3-5-10(14-9)8-13-11(19)6-7-20-12-15-16-17-18(12)2/h3-5H,6-8H2,1-2H3,(H,13,19)
InChIKeyBSKXEBFCPZJCHT-UHFFFAOYSA-N
MW292.37 g/mol
LogP0.71
Rot. Bonds6

About N-[(6-methyl-2-pyridinyl)methyl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide

N-[(6-methyl-2-pyridinyl)methyl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide (PubChem CID 47353750) has the molecular formula C12H16N6OS and a molecular weight of 292.37 g/mol. Its IUPAC name is N-[(6-methyl-2-pyridinyl)methyl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-[(6-methyl-2-pyridinyl)methyl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide
PubChem CID47353750
Molecular FormulaC12H16N6OS
Molecular Weight292.37 g/mol
Exact Mass292.11
IUPAC NameN-[(6-methyl-2-pyridinyl)methyl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide
SMILESCc1cccc(CNC(=O)CCSc2nnnn2C)n1
InChIInChI=1S/C12H16N6OS/c1-9-4-3-5-10(14-9)8-13-11(19)6-7-20-12-15-16-17-18(12)2/h3-5H,6-8H2,1-2H3,(H,13,19)
InChIKeyBSKXEBFCPZJCHT-UHFFFAOYSA-N
XLogP0.71
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-2-pyridinyl)methyl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide?
The IUPAC name of N-[(6-methyl-2-pyridinyl)methyl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide (CID 47353750) is N-[(6-methyl-2-pyridinyl)methyl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide.
What is the SMILES notation for N-[(6-methyl-2-pyridinyl)methyl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide?
The canonical SMILES for N-[(6-methyl-2-pyridinyl)methyl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide is Cc1cccc(CNC(=O)CCSc2nnnn2C)n1.
What is the InChIKey of N-[(6-methyl-2-pyridinyl)methyl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide?
The InChIKey is BSKXEBFCPZJCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6OS/c1-9-4-3-5-10(14-9)8-13-11(19)6-7-20-12-15-16-17-18(12)2/h3-5H,6-8H2,1-2H3,(H,13,19).
What are the key properties of N-[(6-methyl-2-pyridinyl)methyl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide?
N-[(6-methyl-2-pyridinyl)methyl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide has a molecular weight of 292.37 g/mol, XLogP of 0.71, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-2-pyridinyl)methyl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide is sourced from PubChem (CID 47353750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).