1-[5-(aminomethyl)thiophen-2-yl]-2-(2-methylpyrido[2,3-d]pyrimidin-4-yl)sulfanylethanone

C15H14N4OS2 — CID 168951057

IUPAC1-[5-(aminomethyl)thiophen-2-yl]-2-(2-methylpyrido[2,3-d]pyrimidin-4-yl)sulfanylethanone
SMILESCc1nc(SCC(=O)c2ccc(CN)s2)c2cccnc2n1
InChIInChI=1S/C15H14N4OS2/c1-9-18-14-11(3-2-6-17-14)15(19-9)21-8-12(20)13-5-4-10(7-16)22-13/h2-6H,7-8,16H2,1H3
InChIKeySWPRJKXDNOTQDW-UHFFFAOYSA-N
MW330.44 g/mol
LogP2.83
Rot. Bonds5

About 1-[5-(aminomethyl)thiophen-2-yl]-2-(2-methylpyrido[2,3-d]pyrimidin-4-yl)sulfanylethanone

1-[5-(aminomethyl)thiophen-2-yl]-2-(2-methylpyrido[2,3-d]pyrimidin-4-yl)sulfanylethanone (PubChem CID 168951057) has the molecular formula C15H14N4OS2 and a molecular weight of 330.44 g/mol. Its IUPAC name is 1-[5-(aminomethyl)thiophen-2-yl]-2-(2-methylpyrido[2,3-d]pyrimidin-4-yl)sulfanylethanone.

Molecular Properties

Compound Name1-[5-(aminomethyl)thiophen-2-yl]-2-(2-methylpyrido[2,3-d]pyrimidin-4-yl)sulfanylethanone
PubChem CID168951057
Molecular FormulaC15H14N4OS2
Molecular Weight330.44 g/mol
Exact Mass330.06
IUPAC Name1-[5-(aminomethyl)thiophen-2-yl]-2-(2-methylpyrido[2,3-d]pyrimidin-4-yl)sulfanylethanone
SMILESCc1nc(SCC(=O)c2ccc(CN)s2)c2cccnc2n1
InChIInChI=1S/C15H14N4OS2/c1-9-18-14-11(3-2-6-17-14)15(19-9)21-8-12(20)13-5-4-10(7-16)22-13/h2-6H,7-8,16H2,1H3
InChIKeySWPRJKXDNOTQDW-UHFFFAOYSA-N
XLogP2.83
TPSA81.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(aminomethyl)thiophen-2-yl]-2-(2-methylpyrido[2,3-d]pyrimidin-4-yl)sulfanylethanone?
The IUPAC name of 1-[5-(aminomethyl)thiophen-2-yl]-2-(2-methylpyrido[2,3-d]pyrimidin-4-yl)sulfanylethanone (CID 168951057) is 1-[5-(aminomethyl)thiophen-2-yl]-2-(2-methylpyrido[2,3-d]pyrimidin-4-yl)sulfanylethanone.
What is the SMILES notation for 1-[5-(aminomethyl)thiophen-2-yl]-2-(2-methylpyrido[2,3-d]pyrimidin-4-yl)sulfanylethanone?
The canonical SMILES for 1-[5-(aminomethyl)thiophen-2-yl]-2-(2-methylpyrido[2,3-d]pyrimidin-4-yl)sulfanylethanone is Cc1nc(SCC(=O)c2ccc(CN)s2)c2cccnc2n1.
What is the InChIKey of 1-[5-(aminomethyl)thiophen-2-yl]-2-(2-methylpyrido[2,3-d]pyrimidin-4-yl)sulfanylethanone?
The InChIKey is SWPRJKXDNOTQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS2/c1-9-18-14-11(3-2-6-17-14)15(19-9)21-8-12(20)13-5-4-10(7-16)22-13/h2-6H,7-8,16H2,1H3.
What are the key properties of 1-[5-(aminomethyl)thiophen-2-yl]-2-(2-methylpyrido[2,3-d]pyrimidin-4-yl)sulfanylethanone?
1-[5-(aminomethyl)thiophen-2-yl]-2-(2-methylpyrido[2,3-d]pyrimidin-4-yl)sulfanylethanone has a molecular weight of 330.44 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(aminomethyl)thiophen-2-yl]-2-(2-methylpyrido[2,3-d]pyrimidin-4-yl)sulfanylethanone is sourced from PubChem (CID 168951057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).