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

C14H9Cl2FN2OS2 — CID 4569573

IUPAC2,5-dichloro-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)thiophene-3-carboxamide
SMILESCCn1/c(=N/C(=O)c2cc(Cl)sc2Cl)sc2cc(F)ccc21
InChIInChI=1S/C14H9Cl2FN2OS2/c1-2-19-9-4-3-7(17)5-10(9)21-14(19)18-13(20)8-6-11(15)22-12(8)16/h3-6H,2H2,1H3/b18-14-
InChIKeyHDVBCGZCEFUJQU-JXAWBTAJSA-N
MW375.28 g/mol
LogP4.97
Rot. Bonds2

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

2,5-dichloro-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)thiophene-3-carboxamide (PubChem CID 4569573) has the molecular formula C14H9Cl2FN2OS2 and a molecular weight of 375.28 g/mol. Its IUPAC name is 2,5-dichloro-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)thiophene-3-carboxamide
PubChem CID4569573
Molecular FormulaC14H9Cl2FN2OS2
Molecular Weight375.28 g/mol
Exact Mass373.95
IUPAC Name2,5-dichloro-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)thiophene-3-carboxamide
SMILESCCn1/c(=N/C(=O)c2cc(Cl)sc2Cl)sc2cc(F)ccc21
InChIInChI=1S/C14H9Cl2FN2OS2/c1-2-19-9-4-3-7(17)5-10(9)21-14(19)18-13(20)8-6-11(15)22-12(8)16/h3-6H,2H2,1H3/b18-14-
InChIKeyHDVBCGZCEFUJQU-JXAWBTAJSA-N
XLogP4.97
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.28
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-N-[6-fluoro-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]thiophene-3-carboxamide
CID 41124703
N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)-2,6-difluorobenzamide
CID 2104924
4-acetyl-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)benzamide
CID 4190703
methyl 4-[(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate
CID 3577819
4-bromo-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)benzamide
CID 2104887
4-cyano-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)benzamide
CID 4100552
N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)-2-[2-[(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)amino]-2-oxoethoxy]acetamide
CID 4061370
2,5-dichloro-N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)thiophene-3-carboxamide
CID 4055620
methyl 2-[2-(2,5-dichlorothiophene-3-carbonyl)imino-6-methyl-1,3-benzothiazol-3-yl]acetate
CID 4564753
ethyl 2-[6-bromo-2-(2,5-dichlorothiophene-3-carbonyl)imino-1,3-benzothiazol-3-yl]acetate
CID 4078636
N-(6-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-2-methoxybenzamide
CID 3453349
2,5-dichloro-N-[3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]thiophene-3-carboxamide
CID 4103243

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)thiophene-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)thiophene-3-carboxamide (CID 4569573) is 2,5-dichloro-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)thiophene-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)thiophene-3-carboxamide is CCn1/c(=N/C(=O)c2cc(Cl)sc2Cl)sc2cc(F)ccc21.
What is the InChIKey of 2,5-dichloro-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)thiophene-3-carboxamide?
The InChIKey is HDVBCGZCEFUJQU-JXAWBTAJSA-N. The full InChI is InChI=1S/C14H9Cl2FN2OS2/c1-2-19-9-4-3-7(17)5-10(9)21-14(19)18-13(20)8-6-11(15)22-12(8)16/h3-6H,2H2,1H3/b18-14-.
What are the key properties of 2,5-dichloro-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)thiophene-3-carboxamide?
2,5-dichloro-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)thiophene-3-carboxamide has a molecular weight of 375.28 g/mol, XLogP of 4.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)thiophene-3-carboxamide is sourced from PubChem (CID 4569573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).