3-(2,2-dimethyl-1,3-thiazolidine-3-carbonyl)-8-methoxypyrimido[2,1-b][1,3]benzothiazol-4-one

C17H17N3O3S2 — CID 126469818

IUPAC3-(2,2-dimethyl-1,3-thiazolidine-3-carbonyl)-8-methoxypyrimido[2,1-b][1,3]benzothiazol-4-one
SMILESCOc1ccc2c(c1)sc1ncc(C(=O)N3CCSC3(C)C)c(=O)n12
InChIInChI=1S/C17H17N3O3S2/c1-17(2)19(6-7-24-17)14(21)11-9-18-16-20(15(11)22)12-5-4-10(23-3)8-13(12)25-16/h4-5,8-9H,6-7H2,1-3H3
InChIKeyYWTMDYZNYHCOOG-UHFFFAOYSA-N
MW375.48 g/mol
LogP2.84
Rot. Bonds2

About 3-(2,2-dimethyl-1,3-thiazolidine-3-carbonyl)-8-methoxypyrimido[2,1-b][1,3]benzothiazol-4-one

3-(2,2-dimethyl-1,3-thiazolidine-3-carbonyl)-8-methoxypyrimido[2,1-b][1,3]benzothiazol-4-one (PubChem CID 126469818) has the molecular formula C17H17N3O3S2 and a molecular weight of 375.48 g/mol. Its IUPAC name is 3-(2,2-dimethyl-1,3-thiazolidine-3-carbonyl)-8-methoxypyrimido[2,1-b][1,3]benzothiazol-4-one.

Molecular Properties

Compound Name3-(2,2-dimethyl-1,3-thiazolidine-3-carbonyl)-8-methoxypyrimido[2,1-b][1,3]benzothiazol-4-one
PubChem CID126469818
Molecular FormulaC17H17N3O3S2
Molecular Weight375.48 g/mol
Exact Mass375.07
IUPAC Name3-(2,2-dimethyl-1,3-thiazolidine-3-carbonyl)-8-methoxypyrimido[2,1-b][1,3]benzothiazol-4-one
SMILESCOc1ccc2c(c1)sc1ncc(C(=O)N3CCSC3(C)C)c(=O)n12
InChIInChI=1S/C17H17N3O3S2/c1-17(2)19(6-7-24-17)14(21)11-9-18-16-20(15(11)22)12-5-4-10(23-3)8-13(12)25-16/h4-5,8-9H,6-7H2,1-3H3
InChIKeyYWTMDYZNYHCOOG-UHFFFAOYSA-N
XLogP2.84
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(2,2-dimethyl-1,3-thiazolidine-3-carbonyl)-8-methoxypyrimido[2,1-b][1,3]benzothiazol-4-one with MolForge

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Related Compounds

N-(4-hydroxycyclohexyl)-8-methoxy-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
CID 126470999
(2,4-dimethoxyphenyl)-(1-thia-4,8-diazaspiro[4.5]decan-4-yl)methanone
CID 42773559
[4-(2,2-dimethyl-1,3-thiazolidine-3-carbonyl)phenyl]-(2,2-dimethyl-1,3-thiazolidin-3-yl)methanone
CID 67892591
2-hydroxy-8-methoxy-3-(2,4,6-trimethylphenyl)pyrimido[2,1-b][1,3]benzothiazol-4-one
CID 135401404
4-imino-8-methoxy-2-pyrrolidin-1-ylpyrimido[2,1-b][1,3]benzothiazole-3-carbonitrile
CID 54752513
3-cyclohexyl-8-methoxy-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione
CID 3389789
6-methoxy-[1,4,2]diazaphospholo[5,1-b][1,3]benzothiazole
CID 134989757
[8-(2,4-dimethoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-phenylmethanone
CID 4590316
(2-amino-4-methoxyphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 115413606
(3-amino-6-methoxy-1-benzothiophen-2-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103358748
5-(6-methoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-yl)pentan-1-amine
CID 82167428
4-(6-methoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-yl)aniline
CID 82167434

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethyl-1,3-thiazolidine-3-carbonyl)-8-methoxypyrimido[2,1-b][1,3]benzothiazol-4-one?
The IUPAC name of 3-(2,2-dimethyl-1,3-thiazolidine-3-carbonyl)-8-methoxypyrimido[2,1-b][1,3]benzothiazol-4-one (CID 126469818) is 3-(2,2-dimethyl-1,3-thiazolidine-3-carbonyl)-8-methoxypyrimido[2,1-b][1,3]benzothiazol-4-one.
What is the SMILES notation for 3-(2,2-dimethyl-1,3-thiazolidine-3-carbonyl)-8-methoxypyrimido[2,1-b][1,3]benzothiazol-4-one?
The canonical SMILES for 3-(2,2-dimethyl-1,3-thiazolidine-3-carbonyl)-8-methoxypyrimido[2,1-b][1,3]benzothiazol-4-one is COc1ccc2c(c1)sc1ncc(C(=O)N3CCSC3(C)C)c(=O)n12.
What is the InChIKey of 3-(2,2-dimethyl-1,3-thiazolidine-3-carbonyl)-8-methoxypyrimido[2,1-b][1,3]benzothiazol-4-one?
The InChIKey is YWTMDYZNYHCOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S2/c1-17(2)19(6-7-24-17)14(21)11-9-18-16-20(15(11)22)12-5-4-10(23-3)8-13(12)25-16/h4-5,8-9H,6-7H2,1-3H3.
What are the key properties of 3-(2,2-dimethyl-1,3-thiazolidine-3-carbonyl)-8-methoxypyrimido[2,1-b][1,3]benzothiazol-4-one?
3-(2,2-dimethyl-1,3-thiazolidine-3-carbonyl)-8-methoxypyrimido[2,1-b][1,3]benzothiazol-4-one has a molecular weight of 375.48 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethyl-1,3-thiazolidine-3-carbonyl)-8-methoxypyrimido[2,1-b][1,3]benzothiazol-4-one is sourced from PubChem (CID 126469818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).