N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide

C16H16N4O3S — CID 91768357

IUPACN-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
SMILESCn1c(=O)[nH]cc(CC(=O)NCCc2nc3ccccc3s2)c1=O
InChIInChI=1S/C16H16N4O3S/c1-20-15(22)10(9-18-16(20)23)8-13(21)17-7-6-14-19-11-4-2-3-5-12(11)24-14/h2-5,9H,6-8H2,1H3,(H,17,21)(H,18,23)
InChIKeyGUUWWUZXMPYYHT-UHFFFAOYSA-N
MW344.40 g/mol
LogP0.58
Rot. Bonds5

About N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide

N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide (PubChem CID 91768357) has the molecular formula C16H16N4O3S and a molecular weight of 344.40 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
PubChem CID91768357
Molecular FormulaC16H16N4O3S
Molecular Weight344.40 g/mol
Exact Mass344.09
IUPAC NameN-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
SMILESCn1c(=O)[nH]cc(CC(=O)NCCc2nc3ccccc3s2)c1=O
InChIInChI=1S/C16H16N4O3S/c1-20-15(22)10(9-18-16(20)23)8-13(21)17-7-6-14-19-11-4-2-3-5-12(11)24-14/h2-5,9H,6-8H2,1H3,(H,17,21)(H,18,23)
InChIKeyGUUWWUZXMPYYHT-UHFFFAOYSA-N
XLogP0.58
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(methylamino)acetamide
CID 114996265
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide
CID 18198533
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(2,6-dichlorophenyl)acetamide
CID 9464682
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-propylsulfonylacetamide
CID 86832012
N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-(1,3-dimethylpyrazol-4-yl)propanamide
CID 71983746
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-phenylsulfanylacetamide
CID 51207948
N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-tert-butylbenzamide
CID 46823819
N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 46823899
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide
CID 17437736
N-[2-(1,3-benzothiazol-2-yl)ethyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 51313017
N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 51277050
(2R)-2-amino-N-[2-(1,3-benzothiazol-2-yl)ethyl]propanamide
CID 119272632

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The IUPAC name of N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide (CID 91768357) is N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The canonical SMILES for N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide is Cn1c(=O)[nH]cc(CC(=O)NCCc2nc3ccccc3s2)c1=O.
What is the InChIKey of N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The InChIKey is GUUWWUZXMPYYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S/c1-20-15(22)10(9-18-16(20)23)8-13(21)17-7-6-14-19-11-4-2-3-5-12(11)24-14/h2-5,9H,6-8H2,1H3,(H,17,21)(H,18,23).
What are the key properties of N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide has a molecular weight of 344.40 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide is sourced from PubChem (CID 91768357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).