N-(2-bromophenyl)-2-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl-methylamino]acetamide

C17H18BrN5O2S — CID 24681199

IUPACN-(2-bromophenyl)-2-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl-methylamino]acetamide
SMILESCCc1nn2c(=O)cc(CN(C)CC(=O)Nc3ccccc3Br)nc2s1
InChIInChI=1S/C17H18BrN5O2S/c1-3-15-21-23-16(25)8-11(19-17(23)26-15)9-22(2)10-14(24)20-13-7-5-4-6-12(13)18/h4-8H,3,9-10H2,1-2H3,(H,20,24)
InChIKeyPICPPWLZEZRMCS-UHFFFAOYSA-N
MW436.34 g/mol
LogP2.55
Rot. Bonds6

About N-(2-bromophenyl)-2-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl-methylamino]acetamide

N-(2-bromophenyl)-2-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl-methylamino]acetamide (PubChem CID 24681199) has the molecular formula C17H18BrN5O2S and a molecular weight of 436.34 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl-methylamino]acetamide
PubChem CID24681199
Molecular FormulaC17H18BrN5O2S
Molecular Weight436.34 g/mol
Exact Mass435.04
IUPAC NameN-(2-bromophenyl)-2-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl-methylamino]acetamide
SMILESCCc1nn2c(=O)cc(CN(C)CC(=O)Nc3ccccc3Br)nc2s1
InChIInChI=1S/C17H18BrN5O2S/c1-3-15-21-23-16(25)8-11(19-17(23)26-15)9-22(2)10-14(24)20-13-7-5-4-6-12(13)18/h4-8H,3,9-10H2,1-2H3,(H,20,24)
InChIKeyPICPPWLZEZRMCS-UHFFFAOYSA-N
XLogP2.55
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.34
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-bromophenyl)-2-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-methylamino]acetamide
CID 24681171
2-ethyl-7-[[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 24665116
N-(3-chlorophenyl)-2-[methyl-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide
CID 55853646
2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-ethylacetamide
CID 47104711
(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(3-phenylpropanoylamino)benzoate
CID 20953037
2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 78788147
2-[cyclopropyl-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid
CID 60833086
2-ethyl-7-[[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylamino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 91829709
(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[[2-(4-methylphenoxy)acetyl]amino]benzoate
CID 20953032
7-[[butyl(2-hydroxyethyl)amino]methyl]-2-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 60689131
N-(2-bromophenyl)-2-(dimethylamino)acetamide;hydrochloride
CID 2959503
N-(2-bromophenyl)-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]acetamide
CID 133352514

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl-methylamino]acetamide?
The IUPAC name of N-(2-bromophenyl)-2-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl-methylamino]acetamide (CID 24681199) is N-(2-bromophenyl)-2-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl-methylamino]acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl-methylamino]acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl-methylamino]acetamide is CCc1nn2c(=O)cc(CN(C)CC(=O)Nc3ccccc3Br)nc2s1.
What is the InChIKey of N-(2-bromophenyl)-2-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl-methylamino]acetamide?
The InChIKey is PICPPWLZEZRMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN5O2S/c1-3-15-21-23-16(25)8-11(19-17(23)26-15)9-22(2)10-14(24)20-13-7-5-4-6-12(13)18/h4-8H,3,9-10H2,1-2H3,(H,20,24).
What are the key properties of N-(2-bromophenyl)-2-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl-methylamino]acetamide?
N-(2-bromophenyl)-2-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl-methylamino]acetamide has a molecular weight of 436.34 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl-methylamino]acetamide is sourced from PubChem (CID 24681199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).