4-(1-benzothiophen-3-yl)-N-cyclopropyl-6-methoxy-1,3,5-triazin-2-amine

C15H14N4OS — CID 117084732

IUPAC4-(1-benzothiophen-3-yl)-N-cyclopropyl-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(NC2CC2)nc(-c2csc3ccccc23)n1
InChIInChI=1S/C15H14N4OS/c1-20-15-18-13(17-14(19-15)16-9-6-7-9)11-8-21-12-5-3-2-4-10(11)12/h2-5,8-9H,6-7H2,1H3,(H,16,17,18,19)
InChIKeyHBWDKOROWQEIOC-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.34
Rot. Bonds4

About 4-(1-benzothiophen-3-yl)-N-cyclopropyl-6-methoxy-1,3,5-triazin-2-amine

4-(1-benzothiophen-3-yl)-N-cyclopropyl-6-methoxy-1,3,5-triazin-2-amine (PubChem CID 117084732) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is 4-(1-benzothiophen-3-yl)-N-cyclopropyl-6-methoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(1-benzothiophen-3-yl)-N-cyclopropyl-6-methoxy-1,3,5-triazin-2-amine
PubChem CID117084732
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC Name4-(1-benzothiophen-3-yl)-N-cyclopropyl-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(NC2CC2)nc(-c2csc3ccccc23)n1
InChIInChI=1S/C15H14N4OS/c1-20-15-18-13(17-14(19-15)16-9-6-7-9)11-8-21-12-5-3-2-4-10(11)12/h2-5,8-9H,6-7H2,1H3,(H,16,17,18,19)
InChIKeyHBWDKOROWQEIOC-UHFFFAOYSA-N
XLogP3.34
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzothiophen-3-yl)-N-cyclopropyl-6-methoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-(1-benzothiophen-3-yl)-N-cyclopropyl-6-methoxy-1,3,5-triazin-2-amine (CID 117084732) is 4-(1-benzothiophen-3-yl)-N-cyclopropyl-6-methoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(1-benzothiophen-3-yl)-N-cyclopropyl-6-methoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(1-benzothiophen-3-yl)-N-cyclopropyl-6-methoxy-1,3,5-triazin-2-amine is COc1nc(NC2CC2)nc(-c2csc3ccccc23)n1.
What is the InChIKey of 4-(1-benzothiophen-3-yl)-N-cyclopropyl-6-methoxy-1,3,5-triazin-2-amine?
The InChIKey is HBWDKOROWQEIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c1-20-15-18-13(17-14(19-15)16-9-6-7-9)11-8-21-12-5-3-2-4-10(11)12/h2-5,8-9H,6-7H2,1H3,(H,16,17,18,19).
What are the key properties of 4-(1-benzothiophen-3-yl)-N-cyclopropyl-6-methoxy-1,3,5-triazin-2-amine?
4-(1-benzothiophen-3-yl)-N-cyclopropyl-6-methoxy-1,3,5-triazin-2-amine has a molecular weight of 298.37 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzothiophen-3-yl)-N-cyclopropyl-6-methoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 117084732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).