5-chloro-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide

C15H13ClN2OS2 — CID 2159345

IUPAC5-chloro-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
SMILESCc1cc(C)c2s/c(=N\C(=O)c3ccc(Cl)s3)n(C)c2c1
InChIInChI=1S/C15H13ClN2OS2/c1-8-6-9(2)13-10(7-8)18(3)15(21-13)17-14(19)11-4-5-12(16)20-11/h4-7H,1-3H3/b17-15-
InChIKeyPWISIEIZJDLPMC-ICFOKQHNSA-N
MW336.87 g/mol
LogP4.31
Rot. Bonds1

About 5-chloro-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide

5-chloro-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide (PubChem CID 2159345) has the molecular formula C15H13ClN2OS2 and a molecular weight of 336.87 g/mol. Its IUPAC name is 5-chloro-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
PubChem CID2159345
Molecular FormulaC15H13ClN2OS2
Molecular Weight336.87 g/mol
Exact Mass336.02
IUPAC Name5-chloro-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
SMILESCc1cc(C)c2s/c(=N\C(=O)c3ccc(Cl)s3)n(C)c2c1
InChIInChI=1S/C15H13ClN2OS2/c1-8-6-9(2)13-10(7-8)18(3)15(21-13)17-14(19)11-4-5-12(16)20-11/h4-7H,1-3H3/b17-15-
InChIKeyPWISIEIZJDLPMC-ICFOKQHNSA-N
XLogP4.31
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.87
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40885113
2,4-dimethyl-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40885536
N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)propanamide
CID 7152654
5-nitro-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)-1-benzothiophene-2-carboxamide
CID 4079252
4-(diethylamino)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40885439
2-(4-chlorophenyl)sulfonyl-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide
CID 7519858
5-chloro-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)thiophene-2-carboxamide
CID 7154015
3-(4-chlorophenyl)sulfonyl-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)propanamide
CID 40951695
5-chloro-N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
CID 43983974
4-(dipropylsulfamoyl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 4284456
2-(4-methylsulfanylphenyl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide
CID 41126426
2-(1,3-dioxoisoindol-2-yl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide
CID 2150906

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide (CID 2159345) is 5-chloro-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide is Cc1cc(C)c2s/c(=N\C(=O)c3ccc(Cl)s3)n(C)c2c1.
What is the InChIKey of 5-chloro-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide?
The InChIKey is PWISIEIZJDLPMC-ICFOKQHNSA-N. The full InChI is InChI=1S/C15H13ClN2OS2/c1-8-6-9(2)13-10(7-8)18(3)15(21-13)17-14(19)11-4-5-12(16)20-11/h4-7H,1-3H3/b17-15-.
What are the key properties of 5-chloro-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide?
5-chloro-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide has a molecular weight of 336.87 g/mol, XLogP of 4.31, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide is sourced from PubChem (CID 2159345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).