5,7-dichloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,1,3-benzothiadiazol-4-amine

C12H10Cl2N4OS — CID 65476221

IUPAC5,7-dichloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,1,3-benzothiadiazol-4-amine
SMILESCc1nc(CNc2c(Cl)cc(Cl)c3nsnc23)oc1C
InChIInChI=1S/C12H10Cl2N4OS/c1-5-6(2)19-9(16-5)4-15-10-7(13)3-8(14)11-12(10)18-20-17-11/h3,15H,4H2,1-2H3
InChIKeyDNBWXEGBDPPCDK-UHFFFAOYSA-N
MW329.21 g/mol
LogP4.22
Rot. Bonds3

About 5,7-dichloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,1,3-benzothiadiazol-4-amine

5,7-dichloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,1,3-benzothiadiazol-4-amine (PubChem CID 65476221) has the molecular formula C12H10Cl2N4OS and a molecular weight of 329.21 g/mol. Its IUPAC name is 5,7-dichloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,1,3-benzothiadiazol-4-amine.

Molecular Properties

Compound Name5,7-dichloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,1,3-benzothiadiazol-4-amine
PubChem CID65476221
Molecular FormulaC12H10Cl2N4OS
Molecular Weight329.21 g/mol
Exact Mass328.00
IUPAC Name5,7-dichloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,1,3-benzothiadiazol-4-amine
SMILESCc1nc(CNc2c(Cl)cc(Cl)c3nsnc23)oc1C
InChIInChI=1S/C12H10Cl2N4OS/c1-5-6(2)19-9(16-5)4-15-10-7(13)3-8(14)11-12(10)18-20-17-11/h3,15H,4H2,1-2H3
InChIKeyDNBWXEGBDPPCDK-UHFFFAOYSA-N
XLogP4.22
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.21
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5,7-dichloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,1,3-benzothiadiazol-4-amine with MolForge

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Related Compounds

5,7-dichloro-N-[(4-methylphenyl)methyl]-2,1,3-benzothiadiazol-4-amine
CID 43740915
5,7-dichloro-N-[(2-methylphenyl)methyl]-2,1,3-benzothiadiazol-4-amine
CID 43740914
5,7-dichloro-N-[(2,3-dimethylphenyl)methyl]-2,1,3-benzothiadiazol-4-amine
CID 63447211
3,5-dichloro-6-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-N-propylpyridine-2,6-diamine
CID 106378906
N-[(5-bromothiophen-2-yl)methyl]-5,7-dichloro-2,1,3-benzothiadiazol-4-amine
CID 43740957
2,6-dibromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylaniline
CID 54882260
5,7-dichloro-N-methyl-2,1,3-benzothiadiazol-4-amine
CID 63090384
5,7-dichloro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2,1,3-benzothiadiazol-4-amine
CID 65473503
5-bromo-2-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]aniline
CID 55132827
4-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-fluoroaniline
CID 54955535
5,7-dichloro-N-[2-(2-methylimidazol-1-yl)ethyl]-2,1,3-benzothiadiazol-4-amine
CID 65474863
3,6-dichloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyridazin-4-amine
CID 106374028

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,1,3-benzothiadiazol-4-amine?
The IUPAC name of 5,7-dichloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,1,3-benzothiadiazol-4-amine (CID 65476221) is 5,7-dichloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,1,3-benzothiadiazol-4-amine.
What is the SMILES notation for 5,7-dichloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,1,3-benzothiadiazol-4-amine?
The canonical SMILES for 5,7-dichloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,1,3-benzothiadiazol-4-amine is Cc1nc(CNc2c(Cl)cc(Cl)c3nsnc23)oc1C.
What is the InChIKey of 5,7-dichloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,1,3-benzothiadiazol-4-amine?
The InChIKey is DNBWXEGBDPPCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N4OS/c1-5-6(2)19-9(16-5)4-15-10-7(13)3-8(14)11-12(10)18-20-17-11/h3,15H,4H2,1-2H3.
What are the key properties of 5,7-dichloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,1,3-benzothiadiazol-4-amine?
5,7-dichloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,1,3-benzothiadiazol-4-amine has a molecular weight of 329.21 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,1,3-benzothiadiazol-4-amine is sourced from PubChem (CID 65476221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).