N-(6-bromo-1,3-benzothiazol-2-yl)-2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetamide

C15H13BrN4O2S — CID 43952281

IUPACN-(6-bromo-1,3-benzothiazol-2-yl)-2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetamide
SMILESCc1ncn(CC(=O)Nc2nc3ccc(Br)cc3s2)c(=O)c1C
InChIInChI=1S/C15H13BrN4O2S/c1-8-9(2)17-7-20(14(8)22)6-13(21)19-15-18-11-4-3-10(16)5-12(11)23-15/h3-5,7H,6H2,1-2H3,(H,18,19,21)
InChIKeyQJFKUVLMMYUOLD-UHFFFAOYSA-N
MW393.27 g/mol
LogP2.87
Rot. Bonds3

About N-(6-bromo-1,3-benzothiazol-2-yl)-2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetamide

N-(6-bromo-1,3-benzothiazol-2-yl)-2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetamide (PubChem CID 43952281) has the molecular formula C15H13BrN4O2S and a molecular weight of 393.27 g/mol. Its IUPAC name is N-(6-bromo-1,3-benzothiazol-2-yl)-2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(6-bromo-1,3-benzothiazol-2-yl)-2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetamide
PubChem CID43952281
Molecular FormulaC15H13BrN4O2S
Molecular Weight393.27 g/mol
Exact Mass391.99
IUPAC NameN-(6-bromo-1,3-benzothiazol-2-yl)-2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetamide
SMILESCc1ncn(CC(=O)Nc2nc3ccc(Br)cc3s2)c(=O)c1C
InChIInChI=1S/C15H13BrN4O2S/c1-8-9(2)17-7-20(14(8)22)6-13(21)19-15-18-11-4-3-10(16)5-12(11)23-15/h3-5,7H,6H2,1-2H3,(H,18,19,21)
InChIKeyQJFKUVLMMYUOLD-UHFFFAOYSA-N
XLogP2.87
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.27
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzothiazol-2-yl)-2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetamide
CID 43952352
N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2701434
N-(6-bromo-1,3-benzothiazol-2-yl)-2-chloroacetamide
CID 2384252
2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 4083820
N-(6-bromo-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetamide
CID 43965016
2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 8883244
2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)acetamide
CID 43989243
N-(6-bromo-1,3-benzothiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 3956989
N-(6-bromo-1,3-benzothiazol-2-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 3889839
N-(6-bromo-1,3-benzothiazol-2-yl)hexanamide
CID 5058354
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(1-methyl-6-oxopurin-7-yl)acetamide
CID 87424254
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 24529057

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-1,3-benzothiazol-2-yl)-2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(6-bromo-1,3-benzothiazol-2-yl)-2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetamide (CID 43952281) is N-(6-bromo-1,3-benzothiazol-2-yl)-2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(6-bromo-1,3-benzothiazol-2-yl)-2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(6-bromo-1,3-benzothiazol-2-yl)-2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetamide is Cc1ncn(CC(=O)Nc2nc3ccc(Br)cc3s2)c(=O)c1C.
What is the InChIKey of N-(6-bromo-1,3-benzothiazol-2-yl)-2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetamide?
The InChIKey is QJFKUVLMMYUOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4O2S/c1-8-9(2)17-7-20(14(8)22)6-13(21)19-15-18-11-4-3-10(16)5-12(11)23-15/h3-5,7H,6H2,1-2H3,(H,18,19,21).
What are the key properties of N-(6-bromo-1,3-benzothiazol-2-yl)-2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetamide?
N-(6-bromo-1,3-benzothiazol-2-yl)-2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetamide has a molecular weight of 393.27 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-1,3-benzothiazol-2-yl)-2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 43952281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).