5,7-dichloro-N-[1-(furan-2-yl)propan-2-yl]-2,1,3-benzothiadiazol-4-amine

C13H11Cl2N3OS — CID 63447168

IUPAC5,7-dichloro-N-[1-(furan-2-yl)propan-2-yl]-2,1,3-benzothiadiazol-4-amine
SMILESCC(Cc1ccco1)Nc1c(Cl)cc(Cl)c2nsnc12
InChIInChI=1S/C13H11Cl2N3OS/c1-7(5-8-3-2-4-19-8)16-11-9(14)6-10(15)12-13(11)18-20-17-12/h2-4,6-7,16H,5H2,1H3
InChIKeyZWYQTQXVKUJOIK-UHFFFAOYSA-N
MW328.22 g/mol
LogP4.63
Rot. Bonds4

About 5,7-dichloro-N-[1-(furan-2-yl)propan-2-yl]-2,1,3-benzothiadiazol-4-amine

5,7-dichloro-N-[1-(furan-2-yl)propan-2-yl]-2,1,3-benzothiadiazol-4-amine (PubChem CID 63447168) has the molecular formula C13H11Cl2N3OS and a molecular weight of 328.22 g/mol. Its IUPAC name is 5,7-dichloro-N-[1-(furan-2-yl)propan-2-yl]-2,1,3-benzothiadiazol-4-amine.

Molecular Properties

Compound Name5,7-dichloro-N-[1-(furan-2-yl)propan-2-yl]-2,1,3-benzothiadiazol-4-amine
PubChem CID63447168
Molecular FormulaC13H11Cl2N3OS
Molecular Weight328.22 g/mol
Exact Mass327.00
IUPAC Name5,7-dichloro-N-[1-(furan-2-yl)propan-2-yl]-2,1,3-benzothiadiazol-4-amine
SMILESCC(Cc1ccco1)Nc1c(Cl)cc(Cl)c2nsnc12
InChIInChI=1S/C13H11Cl2N3OS/c1-7(5-8-3-2-4-19-8)16-11-9(14)6-10(15)12-13(11)18-20-17-12/h2-4,6-7,16H,5H2,1H3
InChIKeyZWYQTQXVKUJOIK-UHFFFAOYSA-N
XLogP4.63
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.22
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(furan-2-yl)propan-2-yl]pyridin-4-amine
CID 61043048
2-chloro-6-ethyl-N-[1-(furan-2-yl)propan-2-yl]thieno[2,3-d]pyrimidin-4-amine
CID 103320972
5-chloro-4-N-[1-(furan-2-yl)propan-2-yl]-2-N-methylpyrimidine-2,4-diamine
CID 80804226
6-chloro-N-[1-(furan-2-yl)propan-2-yl]-1,3-benzodioxol-5-amine
CID 55181891
1-(furan-2-yl)-N-[1-(furan-2-yl)propan-2-yl]propan-2-amine
CID 55179966
N-[1-(furan-2-yl)propan-2-yl]-3,5-dimethylaniline
CID 63099916
6-chloro-N-[1-(furan-2-yl)propan-2-yl]-1,3-benzothiazol-2-amine
CID 79525693
5-N-[1-(furan-2-yl)propan-2-yl]-1,2,4-thiadiazole-3,5-diamine
CID 66278120
7-fluoro-8-N-[1-(furan-2-yl)propan-2-yl]quinoline-5,8-diamine
CID 83166149
N-[1-(furan-2-yl)propan-2-yl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 64982537
6-chloro-2-N,2-N-diethyl-4-N-[1-(furan-2-yl)propan-2-yl]-1,3,5-triazine-2,4-diamine
CID 62864795
2-chloro-4-[1-(furan-2-yl)propan-2-ylamino]benzamide
CID 63085843

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-N-[1-(furan-2-yl)propan-2-yl]-2,1,3-benzothiadiazol-4-amine?
The IUPAC name of 5,7-dichloro-N-[1-(furan-2-yl)propan-2-yl]-2,1,3-benzothiadiazol-4-amine (CID 63447168) is 5,7-dichloro-N-[1-(furan-2-yl)propan-2-yl]-2,1,3-benzothiadiazol-4-amine.
What is the SMILES notation for 5,7-dichloro-N-[1-(furan-2-yl)propan-2-yl]-2,1,3-benzothiadiazol-4-amine?
The canonical SMILES for 5,7-dichloro-N-[1-(furan-2-yl)propan-2-yl]-2,1,3-benzothiadiazol-4-amine is CC(Cc1ccco1)Nc1c(Cl)cc(Cl)c2nsnc12.
What is the InChIKey of 5,7-dichloro-N-[1-(furan-2-yl)propan-2-yl]-2,1,3-benzothiadiazol-4-amine?
The InChIKey is ZWYQTQXVKUJOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3OS/c1-7(5-8-3-2-4-19-8)16-11-9(14)6-10(15)12-13(11)18-20-17-12/h2-4,6-7,16H,5H2,1H3.
What are the key properties of 5,7-dichloro-N-[1-(furan-2-yl)propan-2-yl]-2,1,3-benzothiadiazol-4-amine?
5,7-dichloro-N-[1-(furan-2-yl)propan-2-yl]-2,1,3-benzothiadiazol-4-amine has a molecular weight of 328.22 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-N-[1-(furan-2-yl)propan-2-yl]-2,1,3-benzothiadiazol-4-amine is sourced from PubChem (CID 63447168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).