N-(4-bromophenyl)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]acetamide

C11H11BrN6OS — CID 112777647

IUPACN-(4-bromophenyl)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]acetamide
SMILESNc1nc(N)nc(SCC(=O)Nc2ccc(Br)cc2)n1
InChIInChI=1S/C11H11BrN6OS/c12-6-1-3-7(4-2-6)15-8(19)5-20-11-17-9(13)16-10(14)18-11/h1-4H,5H2,(H,15,19)(H4,13,14,16,17,18)
InChIKeyFNHSLBUFLMAIDG-UHFFFAOYSA-N
MW355.22 g/mol
LogP1.53
Rot. Bonds4

About N-(4-bromophenyl)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]acetamide

N-(4-bromophenyl)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]acetamide (PubChem CID 112777647) has the molecular formula C11H11BrN6OS and a molecular weight of 355.22 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]acetamide
PubChem CID112777647
Molecular FormulaC11H11BrN6OS
Molecular Weight355.22 g/mol
Exact Mass353.99
IUPAC NameN-(4-bromophenyl)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]acetamide
SMILESNc1nc(N)nc(SCC(=O)Nc2ccc(Br)cc2)n1
InChIInChI=1S/C11H11BrN6OS/c12-6-1-3-7(4-2-6)15-8(19)5-20-11-17-9(13)16-10(14)18-11/h1-4H,5H2,(H,15,19)(H4,13,14,16,17,18)
InChIKeyFNHSLBUFLMAIDG-UHFFFAOYSA-N
XLogP1.53
TPSA119.81 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.22
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(4-bromophenyl)acetamide
CID 17450187
methyl 4-[[2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]acetyl]amino]benzoate
CID 7415942
2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide
CID 7415999
2-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-N-(4-bromophenyl)acetamide
CID 3567894
2-(2-amino-5-bromophenyl)sulfanyl-N-(4-bromophenyl)acetamide
CID 79533863
2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(1,2-oxazol-3-yl)acetamide
CID 16594187
2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(4-bromophenyl)acetamide
CID 24706271
S-[2-(4-bromoanilino)-2-oxoethyl] carbamothioate
CID 873458
2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(4-bromophenyl)acetamide
CID 1244717
2-(2-amino-6-chlorophenyl)sulfanyl-N-(4-bromophenyl)acetamide
CID 43304961
2-[[5-(5-bromo-2-hydroxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromophenyl)acetamide
CID 137144485
2-[(5-amino-4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromophenyl)acetamide
CID 38667290

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]acetamide (CID 112777647) is N-(4-bromophenyl)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]acetamide is Nc1nc(N)nc(SCC(=O)Nc2ccc(Br)cc2)n1.
What is the InChIKey of N-(4-bromophenyl)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]acetamide?
The InChIKey is FNHSLBUFLMAIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN6OS/c12-6-1-3-7(4-2-6)15-8(19)5-20-11-17-9(13)16-10(14)18-11/h1-4H,5H2,(H,15,19)(H4,13,14,16,17,18).
What are the key properties of N-(4-bromophenyl)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]acetamide?
N-(4-bromophenyl)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]acetamide has a molecular weight of 355.22 g/mol, XLogP of 1.53, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 112777647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).