4-(1,3-benzothiazol-6-ylamino)-2-methylsulfinyl-6H-pyrido[4,3-d]pyrimidin-5-one

C15H11N5O2S2 — CID 141354229

IUPAC4-(1,3-benzothiazol-6-ylamino)-2-methylsulfinyl-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESCS(=O)c1nc(Nc2ccc3ncsc3c2)c2c(=O)[nH]ccc2n1
InChIInChI=1S/C15H11N5O2S2/c1-24(22)15-19-10-4-5-16-14(21)12(10)13(20-15)18-8-2-3-9-11(6-8)23-7-17-9/h2-7H,1H3,(H,16,21)(H,18,19,20)
InChIKeyUETSGBGWKZJEOY-UHFFFAOYSA-N
MW357.42 g/mol
LogP2.41
Rot. Bonds3

About 4-(1,3-benzothiazol-6-ylamino)-2-methylsulfinyl-6H-pyrido[4,3-d]pyrimidin-5-one

4-(1,3-benzothiazol-6-ylamino)-2-methylsulfinyl-6H-pyrido[4,3-d]pyrimidin-5-one (PubChem CID 141354229) has the molecular formula C15H11N5O2S2 and a molecular weight of 357.42 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-6-ylamino)-2-methylsulfinyl-6H-pyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name4-(1,3-benzothiazol-6-ylamino)-2-methylsulfinyl-6H-pyrido[4,3-d]pyrimidin-5-one
PubChem CID141354229
Molecular FormulaC15H11N5O2S2
Molecular Weight357.42 g/mol
Exact Mass357.04
IUPAC Name4-(1,3-benzothiazol-6-ylamino)-2-methylsulfinyl-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESCS(=O)c1nc(Nc2ccc3ncsc3c2)c2c(=O)[nH]ccc2n1
InChIInChI=1S/C15H11N5O2S2/c1-24(22)15-19-10-4-5-16-14(21)12(10)13(20-15)18-8-2-3-9-11(6-8)23-7-17-9/h2-7H,1H3,(H,16,21)(H,18,19,20)
InChIKeyUETSGBGWKZJEOY-UHFFFAOYSA-N
XLogP2.41
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-bromo-1,3,4-thiadiazol-2-yl)-1,3-benzothiazol-6-amine
CID 107800236
2-N-(1,3-benzothiazol-6-yl)-3-methylpyridine-2,5-diamine
CID 107802776
4-N-(1,3-benzothiazol-6-yl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 107802039
4-N-(1,3-benzothiazol-6-yl)-2-N-(1H-indol-5-yl)-5-nitropyrimidine-2,4-diamine
CID 52940995
4-N-(1,3-benzothiazol-6-yl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 107801952
N-methoxy-1,3-benzothiazol-6-amine
CID 90120001
4-N-(1,3-benzothiazol-6-yl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 107801963
4-N-(1,3-benzothiazol-6-yl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 107801945
5-N-(1,3-benzothiazol-6-yl)pyridine-3,5-diamine
CID 107801971
1-N-(1,3-benzothiazol-6-yl)benzene-1,2,4-triamine
CID 12685915
N-(4-nitrophenyl)-1,3-benzothiazol-6-amine
CID 112840853
4-(1,3-benzothiazol-6-ylamino)benzenecarbothioamide
CID 107806262

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-6-ylamino)-2-methylsulfinyl-6H-pyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 4-(1,3-benzothiazol-6-ylamino)-2-methylsulfinyl-6H-pyrido[4,3-d]pyrimidin-5-one (CID 141354229) is 4-(1,3-benzothiazol-6-ylamino)-2-methylsulfinyl-6H-pyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 4-(1,3-benzothiazol-6-ylamino)-2-methylsulfinyl-6H-pyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 4-(1,3-benzothiazol-6-ylamino)-2-methylsulfinyl-6H-pyrido[4,3-d]pyrimidin-5-one is CS(=O)c1nc(Nc2ccc3ncsc3c2)c2c(=O)[nH]ccc2n1.
What is the InChIKey of 4-(1,3-benzothiazol-6-ylamino)-2-methylsulfinyl-6H-pyrido[4,3-d]pyrimidin-5-one?
The InChIKey is UETSGBGWKZJEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5O2S2/c1-24(22)15-19-10-4-5-16-14(21)12(10)13(20-15)18-8-2-3-9-11(6-8)23-7-17-9/h2-7H,1H3,(H,16,21)(H,18,19,20).
What are the key properties of 4-(1,3-benzothiazol-6-ylamino)-2-methylsulfinyl-6H-pyrido[4,3-d]pyrimidin-5-one?
4-(1,3-benzothiazol-6-ylamino)-2-methylsulfinyl-6H-pyrido[4,3-d]pyrimidin-5-one has a molecular weight of 357.42 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzothiazol-6-ylamino)-2-methylsulfinyl-6H-pyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 141354229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).