4-bromo-N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide

C16H14BrN3O2S — CID 53019448

IUPAC4-bromo-N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide
SMILESCCc1csc2nc(C)c(NC(=O)c3ccc(Br)cc3)c(=O)n12
InChIInChI=1S/C16H14BrN3O2S/c1-3-12-8-23-16-18-9(2)13(15(22)20(12)16)19-14(21)10-4-6-11(17)7-5-10/h4-8H,3H2,1-2H3,(H,19,21)
InChIKeyVJBKFSWGIADVSE-UHFFFAOYSA-N
MW392.28 g/mol
LogP3.64
Rot. Bonds3

About 4-bromo-N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide

4-bromo-N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide (PubChem CID 53019448) has the molecular formula C16H14BrN3O2S and a molecular weight of 392.28 g/mol. Its IUPAC name is 4-bromo-N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide
PubChem CID53019448
Molecular FormulaC16H14BrN3O2S
Molecular Weight392.28 g/mol
Exact Mass391.00
IUPAC Name4-bromo-N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide
SMILESCCc1csc2nc(C)c(NC(=O)c3ccc(Br)cc3)c(=O)n12
InChIInChI=1S/C16H14BrN3O2S/c1-3-12-8-23-16-18-9(2)13(15(22)20(12)16)19-14(21)10-4-6-11(17)7-5-10/h4-8H,3H2,1-2H3,(H,19,21)
InChIKeyVJBKFSWGIADVSE-UHFFFAOYSA-N
XLogP3.64
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.28
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide
CID 16933440
4-tert-butyl-N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide
CID 16933569
4-bromo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 683754
N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-(2-methylphenyl)acetamide
CID 53019406
4-[(4-bromobenzoyl)amino]-1-ethyl-3-methylpyrazole-5-carboxamide
CID 75537903
methyl 3-[(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)amino]-3-oxopropanoate
CID 53019399
4-bromo-N-[4-[2-[(4-bromobenzoyl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide
CID 3408651
N-(2,6-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-4-phenylbenzamide
CID 18566181
methyl 3-[(4-bromobenzoyl)amino]-4-methylthiophene-2-carboxylate
CID 114915742
4-bromo-N-(5-bromo-6-methyl-2-pyridinyl)benzamide
CID 4509258
4-bromo-N-(3-propyl-1,2,4-thiadiazol-5-yl)benzamide
CID 51134352
3-ethyl-N-methoxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126469417

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide?
The IUPAC name of 4-bromo-N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide (CID 53019448) is 4-bromo-N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide.
What is the SMILES notation for 4-bromo-N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide?
The canonical SMILES for 4-bromo-N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide is CCc1csc2nc(C)c(NC(=O)c3ccc(Br)cc3)c(=O)n12.
What is the InChIKey of 4-bromo-N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide?
The InChIKey is VJBKFSWGIADVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O2S/c1-3-12-8-23-16-18-9(2)13(15(22)20(12)16)19-14(21)10-4-6-11(17)7-5-10/h4-8H,3H2,1-2H3,(H,19,21).
What are the key properties of 4-bromo-N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide?
4-bromo-N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide has a molecular weight of 392.28 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide is sourced from PubChem (CID 53019448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).