6-chloro-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyrimidine-2,4-dione

C11H10ClN3O2S — CID 113404599

IUPAC6-chloro-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyrimidine-2,4-dione
SMILESO=c1cc(Cl)[nH]c(=O)n1-c1nc2c(s1)CCCC2
InChIInChI=1S/C11H10ClN3O2S/c12-8-5-9(16)15(10(17)14-8)11-13-6-3-1-2-4-7(6)18-11/h5H,1-4H2,(H,14,17)
InChIKeyZXZSIHOVVHHXLL-UHFFFAOYSA-N
MW283.74 g/mol
LogP1.51
Rot. Bonds1

About 6-chloro-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyrimidine-2,4-dione

6-chloro-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyrimidine-2,4-dione (PubChem CID 113404599) has the molecular formula C11H10ClN3O2S and a molecular weight of 283.74 g/mol. Its IUPAC name is 6-chloro-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-chloro-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyrimidine-2,4-dione
PubChem CID113404599
Molecular FormulaC11H10ClN3O2S
Molecular Weight283.74 g/mol
Exact Mass283.02
IUPAC Name6-chloro-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyrimidine-2,4-dione
SMILESO=c1cc(Cl)[nH]c(=O)n1-c1nc2c(s1)CCCC2
InChIInChI=1S/C11H10ClN3O2S/c12-8-5-9(16)15(10(17)14-8)11-13-6-3-1-2-4-7(6)18-11/h5H,1-4H2,(H,14,17)
InChIKeyZXZSIHOVVHHXLL-UHFFFAOYSA-N
XLogP1.51
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.74
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-chloro-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyrimidine-2,4-dione with MolForge

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Related Compounds

1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-hydroxy-6-oxopyridine-2-carboxylic acid
CID 114207453
2-(3,6-dichloro-1H-pyridazin-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 175863191
1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-diazinan-2-one
CID 115371059
1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-diazinane-2,4,6-trione
CID 112597902
5,5-dimethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-diazinane-2,4,6-trione
CID 115947511
(3,5-dichlorophenyl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine
CID 61331896
3-(1,3-benzothiazol-6-yl)-6-chloro-1H-pyrimidine-2,4-dione
CID 114002839
2-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 165433014
6-methyl-2-[2-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126913805
2-bromo-4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazole
CID 112623621
2-bromo-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazole
CID 112623648
2,4-dioxo-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-1H-thieno[2,3-d]pyrimidine-6-sulfonamide
CID 175756862

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-chloro-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyrimidine-2,4-dione (CID 113404599) is 6-chloro-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-chloro-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-chloro-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyrimidine-2,4-dione is O=c1cc(Cl)[nH]c(=O)n1-c1nc2c(s1)CCCC2.
What is the InChIKey of 6-chloro-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyrimidine-2,4-dione?
The InChIKey is ZXZSIHOVVHHXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2S/c12-8-5-9(16)15(10(17)14-8)11-13-6-3-1-2-4-7(6)18-11/h5H,1-4H2,(H,14,17).
What are the key properties of 6-chloro-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyrimidine-2,4-dione?
6-chloro-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyrimidine-2,4-dione has a molecular weight of 283.74 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 113404599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).