N-(1,3-benzodioxol-5-yl)-4-thiophen-2-yl-1,3,5-triazin-2-amine

C14H10N4O2S — CID 23536702

IUPACN-(1,3-benzodioxol-5-yl)-4-thiophen-2-yl-1,3,5-triazin-2-amine
SMILESc1csc(-c2ncnc(Nc3ccc4c(c3)OCO4)n2)c1
InChIInChI=1S/C14H10N4O2S/c1-2-12(21-5-1)13-15-7-16-14(18-13)17-9-3-4-10-11(6-9)20-8-19-10/h1-7H,8H2,(H,15,16,17,18)
InChIKeyLERZJNDUFZRGOR-UHFFFAOYSA-N
MW298.33 g/mol
LogP3.07
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-4-thiophen-2-yl-1,3,5-triazin-2-amine

N-(1,3-benzodioxol-5-yl)-4-thiophen-2-yl-1,3,5-triazin-2-amine (PubChem CID 23536702) has the molecular formula C14H10N4O2S and a molecular weight of 298.33 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-4-thiophen-2-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-4-thiophen-2-yl-1,3,5-triazin-2-amine
PubChem CID23536702
Molecular FormulaC14H10N4O2S
Molecular Weight298.33 g/mol
Exact Mass298.05
IUPAC NameN-(1,3-benzodioxol-5-yl)-4-thiophen-2-yl-1,3,5-triazin-2-amine
SMILESc1csc(-c2ncnc(Nc3ccc4c(c3)OCO4)n2)c1
InChIInChI=1S/C14H10N4O2S/c1-2-12(21-5-1)13-15-7-16-14(18-13)17-9-3-4-10-11(6-9)20-8-19-10/h1-7H,8H2,(H,15,16,17,18)
InChIKeyLERZJNDUFZRGOR-UHFFFAOYSA-N
XLogP3.07
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(1,3-benzodioxol-5-yloxymethyl)-3-thiophen-2-yl-1,2,4-oxadiazole
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4-N,6-N-bis(1,3-benzodioxol-5-yl)pyrimidine-4,5,6-triamine
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N-(1,3-benzodioxol-5-yl)-6-chloropyrimidin-4-amine
CID 60727029
N-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 51078417
N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzodioxole-5-sulfonamide
CID 110293472
3-(1,3-benzodioxol-5-ylamino)-1-(pyridin-2-ylmethyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552706
2-N-(1,3-benzodioxol-5-yl)-4-N-(2-thiophen-2-ylethyl)quinazoline-2,4-diamine
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CID 39427750
N-[4-(1,3-benzodioxol-5-ylamino)phenyl]thiophene-2-carboxamide
CID 112989143
5-(1,3-benzodioxol-5-yl)-4-thiophen-2-ylpyrimidine
CID 141147881
2-N-(1,3-benzodioxol-5-yl)-4-N-(3,5-dichlorophenyl)pyrimidine-2,4-diamine
CID 112906443
N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzodioxole-5-sulfonamide
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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-4-thiophen-2-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-4-thiophen-2-yl-1,3,5-triazin-2-amine (CID 23536702) is N-(1,3-benzodioxol-5-yl)-4-thiophen-2-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-4-thiophen-2-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-4-thiophen-2-yl-1,3,5-triazin-2-amine is c1csc(-c2ncnc(Nc3ccc4c(c3)OCO4)n2)c1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-4-thiophen-2-yl-1,3,5-triazin-2-amine?
The InChIKey is LERZJNDUFZRGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O2S/c1-2-12(21-5-1)13-15-7-16-14(18-13)17-9-3-4-10-11(6-9)20-8-19-10/h1-7H,8H2,(H,15,16,17,18).
What are the key properties of N-(1,3-benzodioxol-5-yl)-4-thiophen-2-yl-1,3,5-triazin-2-amine?
N-(1,3-benzodioxol-5-yl)-4-thiophen-2-yl-1,3,5-triazin-2-amine has a molecular weight of 298.33 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-4-thiophen-2-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 23536702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).