5-chloro-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide

C14H10ClFN2OS2 — CID 2104901

IUPAC5-chloro-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
SMILESCCn1/c(=N/C(=O)c2ccc(Cl)s2)sc2cc(F)ccc21
InChIInChI=1S/C14H10ClFN2OS2/c1-2-18-9-4-3-8(16)7-11(9)21-14(18)17-13(19)10-5-6-12(15)20-10/h3-7H,2H2,1H3/b17-14-
InChIKeyPOBXKKLHKCIEHH-VKAVYKQESA-N
MW340.83 g/mol
LogP4.32
Rot. Bonds2

About 5-chloro-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide

5-chloro-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide (PubChem CID 2104901) has the molecular formula C14H10ClFN2OS2 and a molecular weight of 340.83 g/mol. Its IUPAC name is 5-chloro-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
PubChem CID2104901
Molecular FormulaC14H10ClFN2OS2
Molecular Weight340.83 g/mol
Exact Mass339.99
IUPAC Name5-chloro-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
SMILESCCn1/c(=N/C(=O)c2ccc(Cl)s2)sc2cc(F)ccc21
InChIInChI=1S/C14H10ClFN2OS2/c1-2-18-9-4-3-8(16)7-11(9)21-14(18)17-13(19)10-5-6-12(15)20-10/h3-7H,2H2,1H3/b17-14-
InChIKeyPOBXKKLHKCIEHH-VKAVYKQESA-N
XLogP4.32
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.83
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide (CID 2104901) is 5-chloro-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide is CCn1/c(=N/C(=O)c2ccc(Cl)s2)sc2cc(F)ccc21.
What is the InChIKey of 5-chloro-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide?
The InChIKey is POBXKKLHKCIEHH-VKAVYKQESA-N. The full InChI is InChI=1S/C14H10ClFN2OS2/c1-2-18-9-4-3-8(16)7-11(9)21-14(18)17-13(19)10-5-6-12(15)20-10/h3-7H,2H2,1H3/b17-14-.
What are the key properties of 5-chloro-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide?
5-chloro-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide has a molecular weight of 340.83 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide is sourced from PubChem (CID 2104901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).