2-(5-chlorothiophen-2-yl)-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)acetamide

C14H10ClFN2OS2 — CID 41340506

IUPAC2-(5-chlorothiophen-2-yl)-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)acetamide
SMILESCn1/c(=N/C(=O)Cc2ccc(Cl)s2)sc2cc(F)ccc21
InChIInChI=1S/C14H10ClFN2OS2/c1-18-10-4-2-8(16)6-11(10)21-14(18)17-13(19)7-9-3-5-12(15)20-9/h2-6H,7H2,1H3/b17-14-
InChIKeyNZNNCPCRFYXRQV-VKAVYKQESA-N
MW340.83 g/mol
LogP3.76
Rot. Bonds2

About 2-(5-chlorothiophen-2-yl)-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)acetamide

2-(5-chlorothiophen-2-yl)-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)acetamide (PubChem CID 41340506) has the molecular formula C14H10ClFN2OS2 and a molecular weight of 340.83 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)acetamide.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)acetamide
PubChem CID41340506
Molecular FormulaC14H10ClFN2OS2
Molecular Weight340.83 g/mol
Exact Mass339.99
IUPAC Name2-(5-chlorothiophen-2-yl)-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)acetamide
SMILESCn1/c(=N/C(=O)Cc2ccc(Cl)s2)sc2cc(F)ccc21
InChIInChI=1S/C14H10ClFN2OS2/c1-18-10-4-2-8(16)6-11(10)21-14(18)17-13(19)7-9-3-5-12(15)20-9/h2-6H,7H2,1H3/b17-14-
InChIKeyNZNNCPCRFYXRQV-VKAVYKQESA-N
XLogP3.76
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 ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(5-chlorothiophen-2-yl)-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-chlorothiophen-2-yl)-N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)acetamide
CID 41340399
2-(2,4-dimethoxyphenyl)-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)acetamide
CID 16912575
3,5-dichloro-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 4641541
methyl 2-[2-(5-chlorothiophen-2-yl)acetyl]imino-3-(2-methoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylate
CID 41340699
methyl 2-[2-[2-(5-chlorothiophen-2-yl)acetyl]imino-6-methylsulfanyl-1,3-benzothiazol-3-yl]acetate
CID 41340870
2-(4-fluorophenyl)-N-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)acetamide
CID 42524726
N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-3-(4-methoxyphenyl)sulfanylpropanamide
CID 25408186
N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzamide
CID 4564147
N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 4568153
2-(5-chlorothiophen-2-yl)-N-(6-nitro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)acetamide
CID 41340731
methyl 2-[2-[2-(2-chlorophenyl)acetyl]imino-6-fluoro-1,3-benzothiazol-3-yl]acetate
CID 43940990
N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide
CID 40694545

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)acetamide?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)acetamide (CID 41340506) is 2-(5-chlorothiophen-2-yl)-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)acetamide.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)acetamide?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)acetamide is Cn1/c(=N/C(=O)Cc2ccc(Cl)s2)sc2cc(F)ccc21.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)acetamide?
The InChIKey is NZNNCPCRFYXRQV-VKAVYKQESA-N. The full InChI is InChI=1S/C14H10ClFN2OS2/c1-18-10-4-2-8(16)6-11(10)21-14(18)17-13(19)7-9-3-5-12(15)20-9/h2-6H,7H2,1H3/b17-14-.
What are the key properties of 2-(5-chlorothiophen-2-yl)-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)acetamide?
2-(5-chlorothiophen-2-yl)-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)acetamide has a molecular weight of 340.83 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)acetamide is sourced from PubChem (CID 41340506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).