4-(1-benzothiophen-7-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine

C15H16N4OS — CID 81129850

IUPAC4-(1-benzothiophen-7-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NC)nc(-c2cccc3ccsc23)n1
InChIInChI=1S/C15H16N4OS/c1-3-8-20-15-18-13(17-14(16-2)19-15)11-6-4-5-10-7-9-21-12(10)11/h4-7,9H,3,8H2,1-2H3,(H,16,17,18,19)
InChIKeyZYFBYMDUJIHLHR-UHFFFAOYSA-N
MW300.39 g/mol
LogP3.58
Rot. Bonds5

About 4-(1-benzothiophen-7-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine

4-(1-benzothiophen-7-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine (PubChem CID 81129850) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is 4-(1-benzothiophen-7-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(1-benzothiophen-7-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
PubChem CID81129850
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC Name4-(1-benzothiophen-7-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NC)nc(-c2cccc3ccsc23)n1
InChIInChI=1S/C15H16N4OS/c1-3-8-20-15-18-13(17-14(16-2)19-15)11-6-4-5-10-7-9-21-12(10)11/h4-7,9H,3,8H2,1-2H3,(H,16,17,18,19)
InChIKeyZYFBYMDUJIHLHR-UHFFFAOYSA-N
XLogP3.58
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(1-benzothiophen-2-yl)-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine
CID 71599357
4-(1-benzothiophen-3-yl)-6-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine
CID 117089445
6-(6-Fluoro-1-benzothiophen-2-yl)-1,3,5-triazine-2,4-diamine
CID 112681436
4-(1-Benzothiophen-3-yl)-6-methoxy-1,3,5-triazin-2-amine
CID 117084599
4-(1-benzothiophen-3-yl)-N-cyclopropyl-6-methoxy-1,3,5-triazin-2-amine
CID 117084732
1-[3-[[4-(1-Benzothiophen-3-yl)-6-methoxy-1,3,5-triazin-2-yl]amino]propyl]pyrrolidin-2-one
CID 117085543
4-(1-benzothiophen-3-yl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 117087517
4-(1-benzothiophen-3-yl)-N-benzyl-6-methoxy-1,3,5-triazin-2-amine
CID 117087678
2-[[4-(1-Benzothiophen-3-yl)-6-methoxy-1,3,5-triazin-2-yl]amino]ethanol
CID 117087827
N-[4-(1-benzothiophen-3-yl)-6-methoxy-1,3,5-triazin-2-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 117089757
2-N-[1-(1-benzothiophen-2-yl)ethyl]-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 14152995
2-N-[1-(1-benzothiophen-2-yl)butyl]-6-methoxy-1,3,5-triazine-2,4-diamine
CID 20141265

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzothiophen-7-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-(1-benzothiophen-7-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine (CID 81129850) is 4-(1-benzothiophen-7-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(1-benzothiophen-7-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(1-benzothiophen-7-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine is CCCOc1nc(NC)nc(-c2cccc3ccsc23)n1.
What is the InChIKey of 4-(1-benzothiophen-7-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine?
The InChIKey is ZYFBYMDUJIHLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c1-3-8-20-15-18-13(17-14(16-2)19-15)11-6-4-5-10-7-9-21-12(10)11/h4-7,9H,3,8H2,1-2H3,(H,16,17,18,19).
What are the key properties of 4-(1-benzothiophen-7-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine?
4-(1-benzothiophen-7-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine has a molecular weight of 300.39 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzothiophen-7-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 81129850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).