5-bromo-N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]phenyl]-2-methylsulfanylpyrimidine-4-carboxamide

C19H20BrN5O2S — CID 143053500

IUPAC5-bromo-N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]phenyl]-2-methylsulfanylpyrimidine-4-carboxamide
SMILESCSc1ncc(Br)c(C(=O)Nc2ccc(Nc3cc(C(C)(C)C)on3)cc2)n1
InChIInChI=1S/C19H20BrN5O2S/c1-19(2,3)14-9-15(25-27-14)22-11-5-7-12(8-6-11)23-17(26)16-13(20)10-21-18(24-16)28-4/h5-10H,1-4H3,(H,22,25)(H,23,26)
InChIKeyNZWHHCDQZQMIEB-UHFFFAOYSA-N
MW462.37 g/mol
LogP5.24
Rot. Bonds5

About 5-bromo-N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]phenyl]-2-methylsulfanylpyrimidine-4-carboxamide

5-bromo-N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]phenyl]-2-methylsulfanylpyrimidine-4-carboxamide (PubChem CID 143053500) has the molecular formula C19H20BrN5O2S and a molecular weight of 462.37 g/mol. Its IUPAC name is 5-bromo-N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]phenyl]-2-methylsulfanylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]phenyl]-2-methylsulfanylpyrimidine-4-carboxamide
PubChem CID143053500
Molecular FormulaC19H20BrN5O2S
Molecular Weight462.37 g/mol
Exact Mass461.05
IUPAC Name5-bromo-N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]phenyl]-2-methylsulfanylpyrimidine-4-carboxamide
SMILESCSc1ncc(Br)c(C(=O)Nc2ccc(Nc3cc(C(C)(C)C)on3)cc2)n1
InChIInChI=1S/C19H20BrN5O2S/c1-19(2,3)14-9-15(25-27-14)22-11-5-7-12(8-6-11)23-17(26)16-13(20)10-21-18(24-16)28-4/h5-10H,1-4H3,(H,22,25)(H,23,26)
InChIKeyNZWHHCDQZQMIEB-UHFFFAOYSA-N
XLogP5.24
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.37
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-bromo-N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]phenyl]-2-methylsulfanylpyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-2-methylsulfanyl-N-phenylpyrimidine-4-carboxamide
CID 17014128
5-bromo-N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-2-methylsulfanylpyridine-4-carboxamide
CID 59402616
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]phenyl]-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzamide
CID 143053328
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(4-methoxyanilino)phenyl]urea
CID 59381112
5-bromo-N-[4-(4-methoxyanilino)-4-oxobutyl]-2-methylsulfanylpyrimidine-4-carboxamide
CID 51065723
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carboxamide
CID 59380981
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]phenyl]-5-(3-methoxyphenyl)furan-2-carboxamide
CID 143053482
5-bromo-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-2-methylsulfanylpyrimidine-4-carboxamide
CID 165415188
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-2,6-difluorobenzamide
CID 59381141
4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-phenylbenzamide
CID 46883422
5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylpyrimidine-4-carboxamide
CID 17014134
4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]benzoic acid
CID 59380957

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]phenyl]-2-methylsulfanylpyrimidine-4-carboxamide?
The IUPAC name of 5-bromo-N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]phenyl]-2-methylsulfanylpyrimidine-4-carboxamide (CID 143053500) is 5-bromo-N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]phenyl]-2-methylsulfanylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]phenyl]-2-methylsulfanylpyrimidine-4-carboxamide?
The canonical SMILES for 5-bromo-N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]phenyl]-2-methylsulfanylpyrimidine-4-carboxamide is CSc1ncc(Br)c(C(=O)Nc2ccc(Nc3cc(C(C)(C)C)on3)cc2)n1.
What is the InChIKey of 5-bromo-N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]phenyl]-2-methylsulfanylpyrimidine-4-carboxamide?
The InChIKey is NZWHHCDQZQMIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN5O2S/c1-19(2,3)14-9-15(25-27-14)22-11-5-7-12(8-6-11)23-17(26)16-13(20)10-21-18(24-16)28-4/h5-10H,1-4H3,(H,22,25)(H,23,26).
What are the key properties of 5-bromo-N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]phenyl]-2-methylsulfanylpyrimidine-4-carboxamide?
5-bromo-N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]phenyl]-2-methylsulfanylpyrimidine-4-carboxamide has a molecular weight of 462.37 g/mol, XLogP of 5.24, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]phenyl]-2-methylsulfanylpyrimidine-4-carboxamide is sourced from PubChem (CID 143053500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).