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

C11H6Cl2N4S — CID 65453599

IUPACN-(1-benzothiophen-5-yl)-4,6-dichloro-1,3,5-triazin-2-amine
SMILESClc1nc(Cl)nc(Nc2ccc3sccc3c2)n1
InChIInChI=1S/C11H6Cl2N4S/c12-9-15-10(13)17-11(16-9)14-7-1-2-8-6(5-7)3-4-18-8/h1-5H,(H,14,15,16,17)
InChIKeyILEABAKHULVJER-UHFFFAOYSA-N
MW297.17 g/mol
LogP4.14
Rot. Bonds2

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

N-(1-benzothiophen-5-yl)-4,6-dichloro-1,3,5-triazin-2-amine (PubChem CID 65453599) has the molecular formula C11H6Cl2N4S and a molecular weight of 297.17 g/mol. Its IUPAC name is N-(1-benzothiophen-5-yl)-4,6-dichloro-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(1-benzothiophen-5-yl)-4,6-dichloro-1,3,5-triazin-2-amine
PubChem CID65453599
Molecular FormulaC11H6Cl2N4S
Molecular Weight297.17 g/mol
Exact Mass295.97
IUPAC NameN-(1-benzothiophen-5-yl)-4,6-dichloro-1,3,5-triazin-2-amine
SMILESClc1nc(Cl)nc(Nc2ccc3sccc3c2)n1
InChIInChI=1S/C11H6Cl2N4S/c12-9-15-10(13)17-11(16-9)14-7-1-2-8-6(5-7)3-4-18-8/h1-5H,(H,14,15,16,17)
InChIKeyILEABAKHULVJER-UHFFFAOYSA-N
XLogP4.14
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.17
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzothiophen-5-yl)-2-chloropyrimidin-4-amine
CID 65453391
4,6-dichloro-N-(4-chloro-3-fluorophenyl)-1,3,5-triazin-2-amine
CID 62870784
2-N-(1-benzothiophen-5-yl)-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80828180
4-(1-benzothiophen-5-ylamino)-3-chlorobenzonitrile
CID 65474945
N-(1-benzothiophen-5-yl)-4-chlorophthalazin-1-amine
CID 65452363
N-(1-benzothiophen-5-yl)-6-chloro-5-methylpyrimidin-4-amine
CID 65452767
1-N-(1-benzothiophen-5-yl)-4-chlorobenzene-1,2-diamine
CID 65476209
N-(1-benzothiophen-5-yl)-6-chloro-2-propylpyrimidin-4-amine
CID 80946343
N-(1-benzothiophen-5-yl)-6-chloro-2-ethyl-5-methylpyrimidin-4-amine
CID 80977515
2-N-(1,3-benzothiazol-6-yl)-6-chloro-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 107802028
2-(1-benzothiophen-5-ylamino)-5-chlorobenzonitrile
CID 65475337
2-N-(1-benzothiophen-5-yl)-1,3,4-oxadiazole-2,5-diamine
CID 103437072

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-5-yl)-4,6-dichloro-1,3,5-triazin-2-amine?
The IUPAC name of N-(1-benzothiophen-5-yl)-4,6-dichloro-1,3,5-triazin-2-amine (CID 65453599) is N-(1-benzothiophen-5-yl)-4,6-dichloro-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(1-benzothiophen-5-yl)-4,6-dichloro-1,3,5-triazin-2-amine?
The canonical SMILES for N-(1-benzothiophen-5-yl)-4,6-dichloro-1,3,5-triazin-2-amine is Clc1nc(Cl)nc(Nc2ccc3sccc3c2)n1.
What is the InChIKey of N-(1-benzothiophen-5-yl)-4,6-dichloro-1,3,5-triazin-2-amine?
The InChIKey is ILEABAKHULVJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2N4S/c12-9-15-10(13)17-11(16-9)14-7-1-2-8-6(5-7)3-4-18-8/h1-5H,(H,14,15,16,17).
What are the key properties of N-(1-benzothiophen-5-yl)-4,6-dichloro-1,3,5-triazin-2-amine?
N-(1-benzothiophen-5-yl)-4,6-dichloro-1,3,5-triazin-2-amine has a molecular weight of 297.17 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-5-yl)-4,6-dichloro-1,3,5-triazin-2-amine is sourced from PubChem (CID 65453599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).