2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide

C17H18N4O2S2 — CID 3994330

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
SMILESCCOc1ccc2nc(NC(=O)CSc3nc(C)cc(C)n3)sc2c1
InChIInChI=1S/C17H18N4O2S2/c1-4-23-12-5-6-13-14(8-12)25-17(20-13)21-15(22)9-24-16-18-10(2)7-11(3)19-16/h5-8H,4,9H2,1-3H3,(H,20,21,22)
InChIKeyAQKKEAHEPZGOMK-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.83
Rot. Bonds6

About 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide (PubChem CID 3994330) has the molecular formula C17H18N4O2S2 and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
PubChem CID3994330
Molecular FormulaC17H18N4O2S2
Molecular Weight374.49 g/mol
Exact Mass374.09
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
SMILESCCOc1ccc2nc(NC(=O)CSc3nc(C)cc(C)n3)sc2c1
InChIInChI=1S/C17H18N4O2S2/c1-4-23-12-5-6-13-14(8-12)25-17(20-13)21-15(22)9-24-16-18-10(2)7-11(3)19-16/h5-8H,4,9H2,1-3H3,(H,20,21,22)
InChIKeyAQKKEAHEPZGOMK-UHFFFAOYSA-N
XLogP3.83
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 17455130
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 1164426
2-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 54409195
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 135427762
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[4-(phenylcarbamothioylamino)phenyl]sulfanylacetamide
CID 19712680
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-quinazolin-4-ylsulfanylacetamide
CID 9323395
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[[5-methyl-4-(2-methylpropyl)-1H-imidazol-2-yl]sulfanyl]acetamide
CID 5299734
2-(3,5-dimethylphenoxy)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 18854078
2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 8674496
methyl 4-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-4-oxobutanoate
CID 108747758
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide
CID 1374059
3-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)butanamide
CID 60835509

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide (CID 3994330) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide is CCOc1ccc2nc(NC(=O)CSc3nc(C)cc(C)n3)sc2c1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is AQKKEAHEPZGOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S2/c1-4-23-12-5-6-13-14(8-12)25-17(20-13)21-15(22)9-24-16-18-10(2)7-11(3)19-16/h5-8H,4,9H2,1-3H3,(H,20,21,22).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 374.49 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 3994330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).