N-(6-acetamido-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide

C17H15N3O2S2 — CID 3588669

IUPACN-(6-acetamido-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
SMILESC=CCn1/c(=N/C(=O)c2cccs2)sc2cc(NC(C)=O)ccc21
InChIInChI=1S/C17H15N3O2S2/c1-3-8-20-13-7-6-12(18-11(2)21)10-15(13)24-17(20)19-16(22)14-5-4-9-23-14/h3-7,9-10H,1,8H2,2H3,(H,18,21)/b19-17-
InChIKeyUVJOIPJQPIWRCD-ZPHPHTNESA-N
MW357.46 g/mol
LogP3.65
Rot. Bonds4

About N-(6-acetamido-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide

N-(6-acetamido-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide (PubChem CID 3588669) has the molecular formula C17H15N3O2S2 and a molecular weight of 357.46 g/mol. Its IUPAC name is N-(6-acetamido-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(6-acetamido-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
PubChem CID3588669
Molecular FormulaC17H15N3O2S2
Molecular Weight357.46 g/mol
Exact Mass357.06
IUPAC NameN-(6-acetamido-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
SMILESC=CCn1/c(=N/C(=O)c2cccs2)sc2cc(NC(C)=O)ccc21
InChIInChI=1S/C17H15N3O2S2/c1-3-8-20-13-7-6-12(18-11(2)21)10-15(13)24-17(20)19-16(22)14-5-4-9-23-14/h3-7,9-10H,1,8H2,2H3,(H,18,21)/b19-17-
InChIKeyUVJOIPJQPIWRCD-ZPHPHTNESA-N
XLogP3.65
TPSA63.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

11H-Thieno(3'2':4,5)pyrimido(2,1-b)benzothiazol-11-one
CID 3074599
(Z)-N-(6-acetamido-3-(2-methoxyethyl)benzo[d]thiazol-2(3H)-ylidene)thiophene-2-carboxamide
CID 4048624
N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-bromothiophene-2-carboxamide
CID 4613619
(E)-N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3-thiophen-2-ylprop-2-enamide
CID 7125404
2-[(2-oxo-2-pyrrolidin-1-ylethyl)thio]-3-phenylthieno[3,2-d]pyrimidin-4(3H)-one
CID 3241235
N-(3-methylsulfanylphenyl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 24231034
(E)-5-chloro-N-(3-ethylbenzo[d]thiazol-2(3H)-ylidene)thiophene-2-carboxamide
CID 2104847
(E)-N-(6-acetamido-3-methylbenzo[d]thiazol-2(3H)-ylidene)thiophene-2-carboxamide
CID 2159233
N-(6-acetamido-3-methyl-1,3-benzothiazol-2-ylidene)-5-bromothiophene-2-carboxamide
CID 2159240
(Z)-N-(3-(2-methoxyethyl)-6-nitrobenzo[d]thiazol-2(3H)-ylidene)thiophene-2-carboxamide
CID 4085217
N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
CID 5162392
(2E,NZ)-N-(6-acetamido-3-(2-ethoxyethyl)benzo[d]thiazol-2(3H)-ylidene)-3-(thiophen-2-yl)acrylamide
CID 7125424

Frequently Asked Questions

What is the IUPAC name of N-(6-acetamido-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide?
The IUPAC name of N-(6-acetamido-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide (CID 3588669) is N-(6-acetamido-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide.
What is the SMILES notation for N-(6-acetamido-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide?
The canonical SMILES for N-(6-acetamido-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide is C=CCn1/c(=N/C(=O)c2cccs2)sc2cc(NC(C)=O)ccc21.
What is the InChIKey of N-(6-acetamido-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide?
The InChIKey is UVJOIPJQPIWRCD-ZPHPHTNESA-N. The full InChI is InChI=1S/C17H15N3O2S2/c1-3-8-20-13-7-6-12(18-11(2)21)10-15(13)24-17(20)19-16(22)14-5-4-9-23-14/h3-7,9-10H,1,8H2,2H3,(H,18,21)/b19-17-.
What are the key properties of N-(6-acetamido-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide?
N-(6-acetamido-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide has a molecular weight of 357.46 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetamido-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide is sourced from PubChem (CID 3588669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).