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

C14H11ClN2OS2 — CID 2104847

IUPAC5-chloro-N-(3-ethyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
SMILESCCn1/c(=N/C(=O)c2ccc(Cl)s2)sc2ccccc21
InChIInChI=1S/C14H11ClN2OS2/c1-2-17-9-5-3-4-6-10(9)20-14(17)16-13(18)11-7-8-12(15)19-11/h3-8H,2H2,1H3/b16-14-
InChIKeyYLDXPSOGUXSFBG-PEZBUJJGSA-N
MW322.84 g/mol
LogP4.18
Rot. Bonds2

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

5-chloro-N-(3-ethyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide (PubChem CID 2104847) has the molecular formula C14H11ClN2OS2 and a molecular weight of 322.84 g/mol. Its IUPAC name is 5-chloro-N-(3-ethyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(3-ethyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
PubChem CID2104847
Molecular FormulaC14H11ClN2OS2
Molecular Weight322.84 g/mol
Exact Mass322.00
IUPAC Name5-chloro-N-(3-ethyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
SMILESCCn1/c(=N/C(=O)c2ccc(Cl)s2)sc2ccccc21
InChIInChI=1S/C14H11ClN2OS2/c1-2-17-9-5-3-4-6-10(9)20-14(17)16-13(18)11-7-8-12(15)19-11/h3-8H,2H2,1H3/b16-14-
InChIKeyYLDXPSOGUXSFBG-PEZBUJJGSA-N
XLogP4.18
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-acetamido-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-thiophenecarboxamide
CID 3588669
2-[2-[(5-Chloro-2-thiophenyl)-oxomethyl]imino-6-fluoro-1,3-benzothiazol-3-yl]acetic acid methyl ester
CID 3599260
(Z)-methyl 2-(2-((5-chlorothiophene-2-carbonyl)imino)-6-methylbenzo[d]thiazol-3(2H)-yl)acetate
CID 4646491
2,5-dichloro-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)thiophene-3-carboxamide
CID 4655993
(Z)-N-(3-allyl-6-sulfamoylbenzo[d]thiazol-2(3H)-ylidene)-2,5-dichlorothiophene-3-carboxamide
CID 5115166
2-(4-chloro-N-methylanilino)thieno[2,3-e][1,3]thiazin-4-one
CID 118727812
5-chloro-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
CID 2104901
(Z)-5-chloro-N-(4,6-difluoro-3-propylbenzo[d]thiazol-2(3H)-ylidene)thiophene-2-carboxamide
CID 16833172
(Z)-5-chloro-N-(6-(methylsulfonyl)-3-(2-(methylthio)ethyl)benzo[d]thiazol-2(3H)-ylidene)thiophene-2-carboxamide
CID 16833192
(E)-N-(4-chloro-3-methylbenzo[d]thiazol-2(3H)-ylidene)thiophene-2-carboxamide
CID 2104649
5-chloro-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
CID 3268962
(E)-5-chloro-N-(3-methyl-6-nitrobenzo[d]thiazol-2(3H)-ylidene)thiophene-2-carboxamide
CID 3275072

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-ethyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-(3-ethyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide (CID 2104847) is 5-chloro-N-(3-ethyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(3-ethyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-(3-ethyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide is CCn1/c(=N/C(=O)c2ccc(Cl)s2)sc2ccccc21.
What is the InChIKey of 5-chloro-N-(3-ethyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide?
The InChIKey is YLDXPSOGUXSFBG-PEZBUJJGSA-N. The full InChI is InChI=1S/C14H11ClN2OS2/c1-2-17-9-5-3-4-6-10(9)20-14(17)16-13(18)11-7-8-12(15)19-11/h3-8H,2H2,1H3/b16-14-.
What are the key properties of 5-chloro-N-(3-ethyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide?
5-chloro-N-(3-ethyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide has a molecular weight of 322.84 g/mol, XLogP of 4.18, 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-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide is sourced from PubChem (CID 2104847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).