N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)-1,3-benzothiazole-6-carboxamide

C20H13N3OS2 — CID 4111203

IUPACN-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)-1,3-benzothiazole-6-carboxamide
SMILESCn1/c(=N/C(=O)c2ccc3ncsc3c2)sc2ccc3ccccc3c21
InChIInChI=1S/C20H13N3OS2/c1-23-18-14-5-3-2-4-12(14)7-9-16(18)26-20(23)22-19(24)13-6-8-15-17(10-13)25-11-21-15/h2-11H,1H3/b22-20-
InChIKeyVEEOGFMXMDJZFD-XDOYNYLZSA-N
MW375.48 g/mol
LogP4.74
Rot. Bonds1

About N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)-1,3-benzothiazole-6-carboxamide

N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)-1,3-benzothiazole-6-carboxamide (PubChem CID 4111203) has the molecular formula C20H13N3OS2 and a molecular weight of 375.48 g/mol. Its IUPAC name is N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)-1,3-benzothiazole-6-carboxamide
PubChem CID4111203
Molecular FormulaC20H13N3OS2
Molecular Weight375.48 g/mol
Exact Mass375.05
IUPAC NameN-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)-1,3-benzothiazole-6-carboxamide
SMILESCn1/c(=N/C(=O)c2ccc3ncsc3c2)sc2ccc3ccccc3c21
InChIInChI=1S/C20H13N3OS2/c1-23-18-14-5-3-2-4-12(14)7-9-16(18)26-20(23)22-19(24)13-6-8-15-17(10-13)25-11-21-15/h2-11H,1H3/b22-20-
InChIKeyVEEOGFMXMDJZFD-XDOYNYLZSA-N
XLogP4.74
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)-1,3-benzothiazole-6-carboxamide (CID 4111203) is N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)-1,3-benzothiazole-6-carboxamide is Cn1/c(=N/C(=O)c2ccc3ncsc3c2)sc2ccc3ccccc3c21.
What is the InChIKey of N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)-1,3-benzothiazole-6-carboxamide?
The InChIKey is VEEOGFMXMDJZFD-XDOYNYLZSA-N. The full InChI is InChI=1S/C20H13N3OS2/c1-23-18-14-5-3-2-4-12(14)7-9-16(18)26-20(23)22-19(24)13-6-8-15-17(10-13)25-11-21-15/h2-11H,1H3/b22-20-.
What are the key properties of N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)-1,3-benzothiazole-6-carboxamide?
N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)-1,3-benzothiazole-6-carboxamide has a molecular weight of 375.48 g/mol, XLogP of 4.74, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 4111203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).