4-(2-chlorophenyl)-2-cyclopropyl-7-(dimethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-5-one

C16H15ClN4OS — CID 175971052

IUPAC4-(2-chlorophenyl)-2-cyclopropyl-7-(dimethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-5-one
SMILESCN(C)c1nc(=O)n(-c2ccccc2Cl)c2nc(C3CC3)sc12
InChIInChI=1S/C16H15ClN4OS/c1-20(2)13-12-14(18-15(23-12)9-7-8-9)21(16(22)19-13)11-6-4-3-5-10(11)17/h3-6,9H,7-8H2,1-2H3
InChIKeySCCRPQOOOBNHDR-UHFFFAOYSA-N
MW346.84 g/mol
LogP3.44
Rot. Bonds3

About 4-(2-chlorophenyl)-2-cyclopropyl-7-(dimethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-5-one

4-(2-chlorophenyl)-2-cyclopropyl-7-(dimethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-5-one (PubChem CID 175971052) has the molecular formula C16H15ClN4OS and a molecular weight of 346.84 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-2-cyclopropyl-7-(dimethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-5-one.

Molecular Properties

Compound Name4-(2-chlorophenyl)-2-cyclopropyl-7-(dimethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-5-one
PubChem CID175971052
Molecular FormulaC16H15ClN4OS
Molecular Weight346.84 g/mol
Exact Mass346.07
IUPAC Name4-(2-chlorophenyl)-2-cyclopropyl-7-(dimethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-5-one
SMILESCN(C)c1nc(=O)n(-c2ccccc2Cl)c2nc(C3CC3)sc12
InChIInChI=1S/C16H15ClN4OS/c1-20(2)13-12-14(18-15(23-12)9-7-8-9)21(16(22)19-13)11-6-4-3-5-10(11)17/h3-6,9H,7-8H2,1-2H3
InChIKeySCCRPQOOOBNHDR-UHFFFAOYSA-N
XLogP3.44
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-bromophenyl)-2-cyclopropyl-7-(dimethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-5-one
CID 170693817
1-(2-chlorophenyl)-7-cyclopropyl-4,5-dimethylquinazolin-2-one
CID 157288859
2-[4-(2-chlorophenyl)piperazin-1-yl]-5-cyclopropyl-1,3,4-thiadiazole
CID 133381827
1-(2-chlorophenyl)-6-methyl-4-(methylamino)thieno[3,2-d]pyrimidin-2-one
CID 175958943
2-[[7-chloro-1-(2-chlorophenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide
CID 162533595
1-(2-chlorophenyl)-7-cyclopropyl-4-pentylquinazolin-2-one
CID 158836321
6-chloro-1-(2-chlorophenyl)-7-cyclopropyl-4-[(3R)-3-hydroxybutyl]quinazolin-2-one
CID 157209085
4-(2-chlorophenyl)-2-cyclopropyl-1,3-thiazol-5-amine
CID 62077356
1-(2-chlorophenyl)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]pyrrolidin-2-one
CID 56787466
1-(2-chlorophenyl)-7-methyl-4-(2,2,2-trifluoroethoxy)pyrido[2,3-d]pyrimidin-2-one
CID 157172748
2-cyclopropyl-4-ethyl-7-hydroxy-6-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 66600132
1-(2-chlorophenyl)-4-(cyclopropylmethylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one
CID 148514727

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-2-cyclopropyl-7-(dimethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-5-one?
The IUPAC name of 4-(2-chlorophenyl)-2-cyclopropyl-7-(dimethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-5-one (CID 175971052) is 4-(2-chlorophenyl)-2-cyclopropyl-7-(dimethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-5-one.
What is the SMILES notation for 4-(2-chlorophenyl)-2-cyclopropyl-7-(dimethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-5-one?
The canonical SMILES for 4-(2-chlorophenyl)-2-cyclopropyl-7-(dimethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-5-one is CN(C)c1nc(=O)n(-c2ccccc2Cl)c2nc(C3CC3)sc12.
What is the InChIKey of 4-(2-chlorophenyl)-2-cyclopropyl-7-(dimethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-5-one?
The InChIKey is SCCRPQOOOBNHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4OS/c1-20(2)13-12-14(18-15(23-12)9-7-8-9)21(16(22)19-13)11-6-4-3-5-10(11)17/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 4-(2-chlorophenyl)-2-cyclopropyl-7-(dimethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-5-one?
4-(2-chlorophenyl)-2-cyclopropyl-7-(dimethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-5-one has a molecular weight of 346.84 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-2-cyclopropyl-7-(dimethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-5-one is sourced from PubChem (CID 175971052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).