3-chloro-N-(2,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide

C15H12ClN3O2S — CID 53017924

IUPAC3-chloro-N-(2,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide
SMILESCc1cn2c(=O)c(NC(=O)c3cccc(Cl)c3)c(C)nc2s1
InChIInChI=1S/C15H12ClN3O2S/c1-8-7-19-14(21)12(9(2)17-15(19)22-8)18-13(20)10-4-3-5-11(16)6-10/h3-7H,1-2H3,(H,18,20)
InChIKeyJROUMHPNZFGIKT-UHFFFAOYSA-N
MW333.80 g/mol
LogP3.28
Rot. Bonds2

About 3-chloro-N-(2,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide

3-chloro-N-(2,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide (PubChem CID 53017924) has the molecular formula C15H12ClN3O2S and a molecular weight of 333.80 g/mol. Its IUPAC name is 3-chloro-N-(2,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(2,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide
PubChem CID53017924
Molecular FormulaC15H12ClN3O2S
Molecular Weight333.80 g/mol
Exact Mass333.03
IUPAC Name3-chloro-N-(2,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide
SMILESCc1cn2c(=O)c(NC(=O)c3cccc(Cl)c3)c(C)nc2s1
InChIInChI=1S/C15H12ClN3O2S/c1-8-7-19-14(21)12(9(2)17-15(19)22-8)18-13(20)10-4-3-5-11(16)6-10/h3-7H,1-2H3,(H,18,20)
InChIKeyJROUMHPNZFGIKT-UHFFFAOYSA-N
XLogP3.28
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.80
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)benzamide
CID 122355868
3-chloro-N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 122357054
3-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
CID 789711
3-chloro-N-(4,6-dichloropyrimidin-5-yl)benzamide
CID 114074797
N-(2-amino-6-methylphenyl)-3-chlorobenzamide
CID 43152332
3-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 7915285
3-chloro-N-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide
CID 2986824
3-chloro-N-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]benzamide
CID 1468320
3-[(3-chlorobenzoyl)amino]-4-methylthiophene-2-carboxylic acid
CID 114914551
3-chloro-N-(4-methylphenyl)benzamide
CID 722375
3-chloro-N-(1-methyltriazol-4-yl)benzamide
CID 112535369
3-chloro-N-(3-methyl-2-oxo-1H-quinolin-7-yl)benzamide
CID 110604388

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide?
The IUPAC name of 3-chloro-N-(2,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide (CID 53017924) is 3-chloro-N-(2,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide.
What is the SMILES notation for 3-chloro-N-(2,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide?
The canonical SMILES for 3-chloro-N-(2,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide is Cc1cn2c(=O)c(NC(=O)c3cccc(Cl)c3)c(C)nc2s1.
What is the InChIKey of 3-chloro-N-(2,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide?
The InChIKey is JROUMHPNZFGIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2S/c1-8-7-19-14(21)12(9(2)17-15(19)22-8)18-13(20)10-4-3-5-11(16)6-10/h3-7H,1-2H3,(H,18,20).
What are the key properties of 3-chloro-N-(2,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide?
3-chloro-N-(2,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide has a molecular weight of 333.80 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide is sourced from PubChem (CID 53017924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).