N-[4-(5-bromopyrimidin-2-yl)sulfanylphenyl]formamide

C11H8BrN3OS — CID 168654215

IUPACN-[4-(5-bromopyrimidin-2-yl)sulfanylphenyl]formamide
SMILESO=CNc1ccc(Sc2ncc(Br)cn2)cc1
InChIInChI=1S/C11H8BrN3OS/c12-8-5-13-11(14-6-8)17-10-3-1-9(2-4-10)15-7-16/h1-7H,(H,15,16)
InChIKeyVVPLWLWFQKDCNM-UHFFFAOYSA-N
MW310.18 g/mol
LogP2.96
Rot. Bonds4

About N-[4-(5-bromopyrimidin-2-yl)sulfanylphenyl]formamide

N-[4-(5-bromopyrimidin-2-yl)sulfanylphenyl]formamide (PubChem CID 168654215) has the molecular formula C11H8BrN3OS and a molecular weight of 310.18 g/mol. Its IUPAC name is N-[4-(5-bromopyrimidin-2-yl)sulfanylphenyl]formamide.

Molecular Properties

Compound NameN-[4-(5-bromopyrimidin-2-yl)sulfanylphenyl]formamide
PubChem CID168654215
Molecular FormulaC11H8BrN3OS
Molecular Weight310.18 g/mol
Exact Mass308.96
IUPAC NameN-[4-(5-bromopyrimidin-2-yl)sulfanylphenyl]formamide
SMILESO=CNc1ccc(Sc2ncc(Br)cn2)cc1
InChIInChI=1S/C11H8BrN3OS/c12-8-5-13-11(14-6-8)17-10-3-1-9(2-4-10)15-7-16/h1-7H,(H,15,16)
InChIKeyVVPLWLWFQKDCNM-UHFFFAOYSA-N
XLogP2.96
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-(4-isocyanatophenyl)sulfanylpyrimidine
CID 169353076
N-(4-bromophenyl)formamide;methane
CID 163289567
4-(5-bromopyrimidin-2-yl)sulfanyl-N-[(2-chloro-1,3-thiazol-5-yl)methyl]aniline
CID 168583965
2-(4-azidophenyl)sulfanyl-5-bromopyrimidine
CID 169325124
N-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]formamide
CID 168653010
N-(5-bromo-2-pyridinyl)formamide
CID 3267780
N-[4-(4-bromopyrazol-1-yl)phenyl]formamide
CID 168652639
N'-[4-(5-bromopyrimidin-2-yl)sulfanylphenyl]-2-chloroethanimidamide
CID 169366488
5-bromo-2-(3-chlorophenyl)sulfanylpyrimidine
CID 63868684
N-(4-formylphenyl)formamide
CID 15314216
[(E)-phenoxymethylideneamino] N-[4-(5-bromopyrimidin-2-yl)sulfanylphenyl]methanimidate
CID 58985510
5-(4-bromophenyl)sulfanylpyridin-2-amine
CID 43345331

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-bromopyrimidin-2-yl)sulfanylphenyl]formamide?
The IUPAC name of N-[4-(5-bromopyrimidin-2-yl)sulfanylphenyl]formamide (CID 168654215) is N-[4-(5-bromopyrimidin-2-yl)sulfanylphenyl]formamide.
What is the SMILES notation for N-[4-(5-bromopyrimidin-2-yl)sulfanylphenyl]formamide?
The canonical SMILES for N-[4-(5-bromopyrimidin-2-yl)sulfanylphenyl]formamide is O=CNc1ccc(Sc2ncc(Br)cn2)cc1.
What is the InChIKey of N-[4-(5-bromopyrimidin-2-yl)sulfanylphenyl]formamide?
The InChIKey is VVPLWLWFQKDCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN3OS/c12-8-5-13-11(14-6-8)17-10-3-1-9(2-4-10)15-7-16/h1-7H,(H,15,16).
What are the key properties of N-[4-(5-bromopyrimidin-2-yl)sulfanylphenyl]formamide?
N-[4-(5-bromopyrimidin-2-yl)sulfanylphenyl]formamide has a molecular weight of 310.18 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-bromopyrimidin-2-yl)sulfanylphenyl]formamide is sourced from PubChem (CID 168654215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).