N-[6-[(2-thiophen-2-ylacetyl)amino]-1,3-benzothiazol-2-yl]furan-2-carboxamide

C18H13N3O3S2 — CID 172755506

IUPACN-[6-[(2-thiophen-2-ylacetyl)amino]-1,3-benzothiazol-2-yl]furan-2-carboxamide
SMILESO=C(Cc1cccs1)Nc1ccc2nc(NC(=O)c3ccco3)sc2c1
InChIInChI=1S/C18H13N3O3S2/c22-16(10-12-3-2-8-25-12)19-11-5-6-13-15(9-11)26-18(20-13)21-17(23)14-4-1-7-24-14/h1-9H,10H2,(H,19,22)(H,20,21,23)
InChIKeyKYRUHWIVWCIZNW-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.38
Rot. Bonds5

About N-[6-[(2-thiophen-2-ylacetyl)amino]-1,3-benzothiazol-2-yl]furan-2-carboxamide

N-[6-[(2-thiophen-2-ylacetyl)amino]-1,3-benzothiazol-2-yl]furan-2-carboxamide (PubChem CID 172755506) has the molecular formula C18H13N3O3S2 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[6-[(2-thiophen-2-ylacetyl)amino]-1,3-benzothiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[6-[(2-thiophen-2-ylacetyl)amino]-1,3-benzothiazol-2-yl]furan-2-carboxamide
PubChem CID172755506
Molecular FormulaC18H13N3O3S2
Molecular Weight383.45 g/mol
Exact Mass383.04
IUPAC NameN-[6-[(2-thiophen-2-ylacetyl)amino]-1,3-benzothiazol-2-yl]furan-2-carboxamide
SMILESO=C(Cc1cccs1)Nc1ccc2nc(NC(=O)c3ccco3)sc2c1
InChIInChI=1S/C18H13N3O3S2/c22-16(10-12-3-2-8-25-12)19-11-5-6-13-15(9-11)26-18(20-13)21-17(23)14-4-1-7-24-14/h1-9H,10H2,(H,19,22)(H,20,21,23)
InChIKeyKYRUHWIVWCIZNW-UHFFFAOYSA-N
XLogP4.38
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-acetamido-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide
CID 30515096
N-[6-(naphthalene-1-carbonylamino)-1,3-benzothiazol-2-yl]furan-2-carboxamide
CID 17127363
N-[6-[(4-iodobenzoyl)amino]-1,3-benzothiazol-2-yl]furan-2-carboxamide
CID 17127294
N-[6-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-1,3-benzothiazol-2-yl]furan-2-carboxamide
CID 17127420
N-[6-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1,3-benzothiazol-2-yl]furan-2-carboxamide
CID 17127421
N-[6-[(2-methoxybenzoyl)amino]-1,3-benzothiazol-2-yl]furan-2-carboxamide
CID 17127300
N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide
CID 41340187
N-[6-[(4-methylsulfonylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]furan-2-carboxamide
CID 172862972
5-(2,5-dichlorophenyl)-N-[2-(furan-2-carbonylamino)-1,3-benzothiazol-6-yl]furan-2-carboxamide
CID 17127399
N-[6-[(2,4-dichlorobenzoyl)carbamothioylamino]-1,3-benzothiazol-2-yl]furan-2-carboxamide
CID 17127453
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-phenylacetamide
CID 954022
ethyl 2-(furan-2-carbonylamino)-1,3-benzothiazole-6-carboxylate
CID 646260

Frequently Asked Questions

What is the IUPAC name of N-[6-[(2-thiophen-2-ylacetyl)amino]-1,3-benzothiazol-2-yl]furan-2-carboxamide?
The IUPAC name of N-[6-[(2-thiophen-2-ylacetyl)amino]-1,3-benzothiazol-2-yl]furan-2-carboxamide (CID 172755506) is N-[6-[(2-thiophen-2-ylacetyl)amino]-1,3-benzothiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[6-[(2-thiophen-2-ylacetyl)amino]-1,3-benzothiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[6-[(2-thiophen-2-ylacetyl)amino]-1,3-benzothiazol-2-yl]furan-2-carboxamide is O=C(Cc1cccs1)Nc1ccc2nc(NC(=O)c3ccco3)sc2c1.
What is the InChIKey of N-[6-[(2-thiophen-2-ylacetyl)amino]-1,3-benzothiazol-2-yl]furan-2-carboxamide?
The InChIKey is KYRUHWIVWCIZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O3S2/c22-16(10-12-3-2-8-25-12)19-11-5-6-13-15(9-11)26-18(20-13)21-17(23)14-4-1-7-24-14/h1-9H,10H2,(H,19,22)(H,20,21,23).
What are the key properties of N-[6-[(2-thiophen-2-ylacetyl)amino]-1,3-benzothiazol-2-yl]furan-2-carboxamide?
N-[6-[(2-thiophen-2-ylacetyl)amino]-1,3-benzothiazol-2-yl]furan-2-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2-thiophen-2-ylacetyl)amino]-1,3-benzothiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 172755506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).