N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide

C14H12N2OS2 — CID 2321009

IUPACN-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
SMILESCc1ccc2c(c1)s/c(=N\C(=O)c1cccs1)n2C
InChIInChI=1S/C14H12N2OS2/c1-9-5-6-10-12(8-9)19-14(16(10)2)15-13(17)11-4-3-7-18-11/h3-8H,1-2H3/b15-14-
InChIKeyVFAXDRSABFWDBR-PFONDFGASA-N
MW288.40 g/mol
LogP3.35
Rot. Bonds1

About N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide

N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide (PubChem CID 2321009) has the molecular formula C14H12N2OS2 and a molecular weight of 288.40 g/mol. Its IUPAC name is N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
PubChem CID2321009
Molecular FormulaC14H12N2OS2
Molecular Weight288.40 g/mol
Exact Mass288.04
IUPAC NameN-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
SMILESCc1ccc2c(c1)s/c(=N\C(=O)c1cccs1)n2C
InChIInChI=1S/C14H12N2OS2/c1-9-5-6-10-12(8-9)19-14(16(10)2)15-13(17)11-4-3-7-18-11/h3-8H,1-2H3/b15-14-
InChIKeyVFAXDRSABFWDBR-PFONDFGASA-N
XLogP3.35
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide?
The IUPAC name of N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide (CID 2321009) is N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide.
What is the SMILES notation for N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide?
The canonical SMILES for N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide is Cc1ccc2c(c1)s/c(=N\C(=O)c1cccs1)n2C.
What is the InChIKey of N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide?
The InChIKey is VFAXDRSABFWDBR-PFONDFGASA-N. The full InChI is InChI=1S/C14H12N2OS2/c1-9-5-6-10-12(8-9)19-14(16(10)2)15-13(17)11-4-3-7-18-11/h3-8H,1-2H3/b15-14-.
What are the key properties of N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide?
N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide has a molecular weight of 288.40 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide is sourced from PubChem (CID 2321009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).