4-[(5-amino-1,3-thiazol-2-yl)amino]-3-bromobenzonitrile

C10H7BrN4S — CID 107787200

IUPAC4-[(5-amino-1,3-thiazol-2-yl)amino]-3-bromobenzonitrile
SMILESN#Cc1ccc(Nc2ncc(N)s2)c(Br)c1
InChIInChI=1S/C10H7BrN4S/c11-7-3-6(4-12)1-2-8(7)15-10-14-5-9(13)16-10/h1-3,5H,13H2,(H,14,15)
InChIKeyKXKKHWHTWZSZKE-UHFFFAOYSA-N
MW295.17 g/mol
LogP3.10
Rot. Bonds2

About 4-[(5-amino-1,3-thiazol-2-yl)amino]-3-bromobenzonitrile

4-[(5-amino-1,3-thiazol-2-yl)amino]-3-bromobenzonitrile (PubChem CID 107787200) has the molecular formula C10H7BrN4S and a molecular weight of 295.17 g/mol. Its IUPAC name is 4-[(5-amino-1,3-thiazol-2-yl)amino]-3-bromobenzonitrile.

Molecular Properties

Compound Name4-[(5-amino-1,3-thiazol-2-yl)amino]-3-bromobenzonitrile
PubChem CID107787200
Molecular FormulaC10H7BrN4S
Molecular Weight295.17 g/mol
Exact Mass293.96
IUPAC Name4-[(5-amino-1,3-thiazol-2-yl)amino]-3-bromobenzonitrile
SMILESN#Cc1ccc(Nc2ncc(N)s2)c(Br)c1
InChIInChI=1S/C10H7BrN4S/c11-7-3-6(4-12)1-2-8(7)15-10-14-5-9(13)16-10/h1-3,5H,13H2,(H,14,15)
InChIKeyKXKKHWHTWZSZKE-UHFFFAOYSA-N
XLogP3.10
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.17
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]benzonitrile
CID 82797072
4-[(3-amino-5-bromo-2-pyridinyl)amino]-3-bromobenzonitrile
CID 107787260
4-[(2-amino-5-bromopyrimidin-4-yl)amino]-3-bromobenzonitrile
CID 107795143
2-N-(2,5-dibromophenyl)-1,3-thiazole-2,5-diamine
CID 102767891
3-bromo-4-(2,4-dibromoanilino)benzonitrile
CID 82797505
3-bromo-4-[(6-methyl-3-pyridinyl)amino]benzonitrile
CID 82798416
4-[(6-amino-2-pyridinyl)amino]-3-bromobenzonitrile
CID 114002267
5-amino-6-(2-bromo-4-cyanoanilino)pyridine-3-carboxylic acid
CID 107793033
4-(2-amino-4,5-dichloroanilino)-3-bromobenzonitrile
CID 107787215
4-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]-3-bromobenzonitrile
CID 107787232
4-amino-3-[(5-nitro-1,3-thiazol-2-yl)amino]benzonitrile
CID 57086352
4-[(8-aminoquinolin-4-yl)amino]-3-bromobenzonitrile
CID 107787222

Frequently Asked Questions

What is the IUPAC name of 4-[(5-amino-1,3-thiazol-2-yl)amino]-3-bromobenzonitrile?
The IUPAC name of 4-[(5-amino-1,3-thiazol-2-yl)amino]-3-bromobenzonitrile (CID 107787200) is 4-[(5-amino-1,3-thiazol-2-yl)amino]-3-bromobenzonitrile.
What is the SMILES notation for 4-[(5-amino-1,3-thiazol-2-yl)amino]-3-bromobenzonitrile?
The canonical SMILES for 4-[(5-amino-1,3-thiazol-2-yl)amino]-3-bromobenzonitrile is N#Cc1ccc(Nc2ncc(N)s2)c(Br)c1.
What is the InChIKey of 4-[(5-amino-1,3-thiazol-2-yl)amino]-3-bromobenzonitrile?
The InChIKey is KXKKHWHTWZSZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN4S/c11-7-3-6(4-12)1-2-8(7)15-10-14-5-9(13)16-10/h1-3,5H,13H2,(H,14,15).
What are the key properties of 4-[(5-amino-1,3-thiazol-2-yl)amino]-3-bromobenzonitrile?
4-[(5-amino-1,3-thiazol-2-yl)amino]-3-bromobenzonitrile has a molecular weight of 295.17 g/mol, XLogP of 3.10, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-amino-1,3-thiazol-2-yl)amino]-3-bromobenzonitrile is sourced from PubChem (CID 107787200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).