N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(tetrazol-1-yl)acetamide

C11H10N6OS — CID 3342843

IUPACN-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(tetrazol-1-yl)acetamide
SMILESCn1/c(=N/C(=O)Cn2cnnn2)sc2ccccc21
InChIInChI=1S/C11H10N6OS/c1-16-8-4-2-3-5-9(8)19-11(16)13-10(18)6-17-7-12-14-15-17/h2-5,7H,6H2,1H3/b13-11-
InChIKeyFHOGHZFOIZCMII-QBFSEMIESA-N
MW274.31 g/mol
LogP0.35
Rot. Bonds2

About N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(tetrazol-1-yl)acetamide

N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(tetrazol-1-yl)acetamide (PubChem CID 3342843) has the molecular formula C11H10N6OS and a molecular weight of 274.31 g/mol. Its IUPAC name is N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(tetrazol-1-yl)acetamide
PubChem CID3342843
Molecular FormulaC11H10N6OS
Molecular Weight274.31 g/mol
Exact Mass274.06
IUPAC NameN-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(tetrazol-1-yl)acetamide
SMILESCn1/c(=N/C(=O)Cn2cnnn2)sc2ccccc21
InChIInChI=1S/C11H10N6OS/c1-16-8-4-2-3-5-9(8)19-11(16)13-10(18)6-17-7-12-14-15-17/h2-5,7H,6H2,1H3/b13-11-
InChIKeyFHOGHZFOIZCMII-QBFSEMIESA-N
XLogP0.35
TPSA77.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(tetrazol-1-yl)acetamide (CID 3342843) is N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(tetrazol-1-yl)acetamide is Cn1/c(=N/C(=O)Cn2cnnn2)sc2ccccc21.
What is the InChIKey of N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(tetrazol-1-yl)acetamide?
The InChIKey is FHOGHZFOIZCMII-QBFSEMIESA-N. The full InChI is InChI=1S/C11H10N6OS/c1-16-8-4-2-3-5-9(8)19-11(16)13-10(18)6-17-7-12-14-15-17/h2-5,7H,6H2,1H3/b13-11-.
What are the key properties of N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(tetrazol-1-yl)acetamide?
N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(tetrazol-1-yl)acetamide has a molecular weight of 274.31 g/mol, XLogP of 0.35, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 3342843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).