N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]thiophene-2-carboxamide

C17H17N3O3S2 — CID 4048624

IUPACN-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]thiophene-2-carboxamide
SMILESCOCCn1/c(=N/C(=O)c2cccs2)sc2cc(NC(C)=O)ccc21
InChIInChI=1S/C17H17N3O3S2/c1-11(21)18-12-5-6-13-15(10-12)25-17(20(13)7-8-23-2)19-16(22)14-4-3-9-24-14/h3-6,9-10H,7-8H2,1-2H3,(H,18,21)/b19-17-
InChIKeyRSMVAQLQQHWUAC-ZPHPHTNESA-N
MW375.48 g/mol
LogP3.11
Rot. Bonds5

About N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]thiophene-2-carboxamide

N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]thiophene-2-carboxamide (PubChem CID 4048624) has the molecular formula C17H17N3O3S2 and a molecular weight of 375.48 g/mol. Its IUPAC name is N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]thiophene-2-carboxamide
PubChem CID4048624
Molecular FormulaC17H17N3O3S2
Molecular Weight375.48 g/mol
Exact Mass375.07
IUPAC NameN-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]thiophene-2-carboxamide
SMILESCOCCn1/c(=N/C(=O)c2cccs2)sc2cc(NC(C)=O)ccc21
InChIInChI=1S/C17H17N3O3S2/c1-11(21)18-12-5-6-13-15(10-12)25-17(20(13)7-8-23-2)19-16(22)14-4-3-9-24-14/h3-6,9-10H,7-8H2,1-2H3,(H,18,21)/b19-17-
InChIKeyRSMVAQLQQHWUAC-ZPHPHTNESA-N
XLogP3.11
TPSA72.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-acetamido-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-thiophenecarboxamide
CID 3588669
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
(Z)-N-(6-acetamido-3-(2-ethoxyethyl)benzo[d]thiazol-2(3H)-ylidene)isobutyramide
CID 4179269
(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
(Z)-N-(6-acetamido-3-(2-methoxyethyl)benzo[d]thiazol-2(3H)-ylidene)acetamide
CID 4106006
N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]propanamide
CID 4985754
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
2-((3-ethyl-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)thio)-N-(3-(methylthio)phenyl)acetamide
CID 35199234

Frequently Asked Questions

What is the IUPAC name of N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]thiophene-2-carboxamide?
The IUPAC name of N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]thiophene-2-carboxamide (CID 4048624) is N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]thiophene-2-carboxamide.
What is the SMILES notation for N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]thiophene-2-carboxamide?
The canonical SMILES for N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]thiophene-2-carboxamide is COCCn1/c(=N/C(=O)c2cccs2)sc2cc(NC(C)=O)ccc21.
What is the InChIKey of N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]thiophene-2-carboxamide?
The InChIKey is RSMVAQLQQHWUAC-ZPHPHTNESA-N. The full InChI is InChI=1S/C17H17N3O3S2/c1-11(21)18-12-5-6-13-15(10-12)25-17(20(13)7-8-23-2)19-16(22)14-4-3-9-24-14/h3-6,9-10H,7-8H2,1-2H3,(H,18,21)/b19-17-.
What are the key properties of N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]thiophene-2-carboxamide?
N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]thiophene-2-carboxamide has a molecular weight of 375.48 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]thiophene-2-carboxamide is sourced from PubChem (CID 4048624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).