5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine formate

C10H9ClN5O2S- — CID 86658841

IUPAC5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine formate
SMILESClc1ccc2nsnc2c1NC1=NCCN1.O=C[O-]
InChIInChI=1S/C9H8ClN5S.CH2O2/c10-5-1-2-6-8(15-16-14-6)7(5)13-9-11-3-4-12-9;2-1-3/h1-2H,3-4H2,(H2,11,12,13);1H,(H,2,3)/p-1
InChIKeyCRCSGUWDNUKHAG-UHFFFAOYSA-M
MW298.74 g/mol
LogP0.08
Rot. Bonds1

About 5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine formate

5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine formate (PubChem CID 86658841) has the molecular formula C10H9ClN5O2S- and a molecular weight of 298.74 g/mol. Its IUPAC name is 5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine formate.

Molecular Properties

Compound Name5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine formate
PubChem CID86658841
Molecular FormulaC10H9ClN5O2S-
Molecular Weight298.74 g/mol
Exact Mass298.02
IUPAC Name5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine formate
SMILESClc1ccc2nsnc2c1NC1=NCCN1.O=C[O-]
InChIInChI=1S/C9H8ClN5S.CH2O2/c10-5-1-2-6-8(15-16-14-6)7(5)13-9-11-3-4-12-9;2-1-3/h1-2H,3-4H2,(H2,11,12,13);1H,(H,2,3)/p-1
InChIKeyCRCSGUWDNUKHAG-UHFFFAOYSA-M
XLogP0.08
TPSA102.33 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.74
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine;methane
CID 162246950
acetic acid;5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine
CID 46243780
5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine;N-(2-chloro-4-methylthiophen-3-yl)-4,5-dihydro-1H-imidazol-2-amine
CID 70343693
5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine;2-ethoxyacetate
CID 86658845
5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine;[2-hydroxy-3-(2-methoxyphenoxy)propyl] carbamate
CID 67512690
5-chloro-N-(4-chloro-1,2,5-thiadiazol-3-yl)-2,1,3-benzothiadiazol-4-amine
CID 65451949
1-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2,6-difluorobenzene-1,4-diamine
CID 65475234
5-chloro-N-(3,6-dichloro-1,2,4-triazin-5-yl)-2,1,3-benzothiadiazol-4-amine
CID 81036789
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)acetamide
CID 2994664
[2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-4,5-dihydroimidazol-1-yl]-phenylmethanone
CID 170694561
3-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]azepan-2-one
CID 65474092
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-N-(4,5-dihydro-1H-imidazol-2-yl)acetamide
CID 126456190

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine formate?
The IUPAC name of 5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine formate (CID 86658841) is 5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine formate.
What is the SMILES notation for 5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine formate?
The canonical SMILES for 5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine formate is Clc1ccc2nsnc2c1NC1=NCCN1.O=C[O-].
What is the InChIKey of 5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine formate?
The InChIKey is CRCSGUWDNUKHAG-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H8ClN5S.CH2O2/c10-5-1-2-6-8(15-16-14-6)7(5)13-9-11-3-4-12-9;2-1-3/h1-2H,3-4H2,(H2,11,12,13);1H,(H,2,3)/p-1.
What are the key properties of 5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine formate?
5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine formate has a molecular weight of 298.74 g/mol, XLogP of 0.08, 1 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine formate is sourced from PubChem (CID 86658841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).