4-(2,1,3-benzothiadiazol-5-yl)-N-(2-methoxyphenyl)-1,3-thiazol-2-amine;hydrochloride

C16H13ClN4OS2 — CID 72720144

IUPAC4-(2,1,3-benzothiadiazol-5-yl)-N-(2-methoxyphenyl)-1,3-thiazol-2-amine;hydrochloride
SMILESCOc1ccccc1Nc1nc(-c2ccc3nsnc3c2)cs1.Cl
InChIInChI=1S/C16H12N4OS2.ClH/c1-21-15-5-3-2-4-12(15)17-16-18-14(9-22-16)10-6-7-11-13(8-10)20-23-19-11;/h2-9H,1H3,(H,17,18);1H
InChIKeyFSNDILHHLGFSGP-UHFFFAOYSA-N
MW376.89 g/mol
LogP4.99
Rot. Bonds4

About 4-(2,1,3-benzothiadiazol-5-yl)-N-(2-methoxyphenyl)-1,3-thiazol-2-amine;hydrochloride

4-(2,1,3-benzothiadiazol-5-yl)-N-(2-methoxyphenyl)-1,3-thiazol-2-amine;hydrochloride (PubChem CID 72720144) has the molecular formula C16H13ClN4OS2 and a molecular weight of 376.89 g/mol. Its IUPAC name is 4-(2,1,3-benzothiadiazol-5-yl)-N-(2-methoxyphenyl)-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name4-(2,1,3-benzothiadiazol-5-yl)-N-(2-methoxyphenyl)-1,3-thiazol-2-amine;hydrochloride
PubChem CID72720144
Molecular FormulaC16H13ClN4OS2
Molecular Weight376.89 g/mol
Exact Mass376.02
IUPAC Name4-(2,1,3-benzothiadiazol-5-yl)-N-(2-methoxyphenyl)-1,3-thiazol-2-amine;hydrochloride
SMILESCOc1ccccc1Nc1nc(-c2ccc3nsnc3c2)cs1.Cl
InChIInChI=1S/C16H12N4OS2.ClH/c1-21-15-5-3-2-4-12(15)17-16-18-14(9-22-16)10-6-7-11-13(8-10)20-23-19-11;/h2-9H,1H3,(H,17,18);1H
InChIKeyFSNDILHHLGFSGP-UHFFFAOYSA-N
XLogP4.99
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.89
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(2,1,3-benzothiadiazol-5-yl)-N-(2-methoxyphenyl)-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 4-(2,1,3-benzothiadiazol-5-yl)-N-(2-methoxyphenyl)-1,3-thiazol-2-amine;hydrochloride (CID 72720144) is 4-(2,1,3-benzothiadiazol-5-yl)-N-(2-methoxyphenyl)-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 4-(2,1,3-benzothiadiazol-5-yl)-N-(2-methoxyphenyl)-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 4-(2,1,3-benzothiadiazol-5-yl)-N-(2-methoxyphenyl)-1,3-thiazol-2-amine;hydrochloride is COc1ccccc1Nc1nc(-c2ccc3nsnc3c2)cs1.Cl.
What is the InChIKey of 4-(2,1,3-benzothiadiazol-5-yl)-N-(2-methoxyphenyl)-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is FSNDILHHLGFSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4OS2.ClH/c1-21-15-5-3-2-4-12(15)17-16-18-14(9-22-16)10-6-7-11-13(8-10)20-23-19-11;/h2-9H,1H3,(H,17,18);1H.
What are the key properties of 4-(2,1,3-benzothiadiazol-5-yl)-N-(2-methoxyphenyl)-1,3-thiazol-2-amine;hydrochloride?
4-(2,1,3-benzothiadiazol-5-yl)-N-(2-methoxyphenyl)-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 376.89 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,1,3-benzothiadiazol-5-yl)-N-(2-methoxyphenyl)-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 72720144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).