5-(1,3-benzothiazol-2-yl)-N-[2-(benzylamino)-2-oxoethyl]thiophene-2-carboxamide

C21H17N3O2S2 — CID 46461899

IUPAC5-(1,3-benzothiazol-2-yl)-N-[2-(benzylamino)-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(CNC(=O)c1ccc(-c2nc3ccccc3s2)s1)NCc1ccccc1
InChIInChI=1S/C21H17N3O2S2/c25-19(22-12-14-6-2-1-3-7-14)13-23-20(26)17-10-11-18(27-17)21-24-15-8-4-5-9-16(15)28-21/h1-11H,12-13H2,(H,22,25)(H,23,26)
InChIKeySXCLVYYRTFURFQ-UHFFFAOYSA-N
MW407.52 g/mol
LogP4.07
Rot. Bonds6

About 5-(1,3-benzothiazol-2-yl)-N-[2-(benzylamino)-2-oxoethyl]thiophene-2-carboxamide

5-(1,3-benzothiazol-2-yl)-N-[2-(benzylamino)-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 46461899) has the molecular formula C21H17N3O2S2 and a molecular weight of 407.52 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-2-yl)-N-[2-(benzylamino)-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(1,3-benzothiazol-2-yl)-N-[2-(benzylamino)-2-oxoethyl]thiophene-2-carboxamide
PubChem CID46461899
Molecular FormulaC21H17N3O2S2
Molecular Weight407.52 g/mol
Exact Mass407.08
IUPAC Name5-(1,3-benzothiazol-2-yl)-N-[2-(benzylamino)-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(CNC(=O)c1ccc(-c2nc3ccccc3s2)s1)NCc1ccccc1
InChIInChI=1S/C21H17N3O2S2/c25-19(22-12-14-6-2-1-3-7-14)13-23-20(26)17-10-11-18(27-17)21-24-15-8-4-5-9-16(15)28-21/h1-11H,12-13H2,(H,22,25)(H,23,26)
InChIKeySXCLVYYRTFURFQ-UHFFFAOYSA-N
XLogP4.07
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1,3-benzothiazol-2-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]thiophene-2-carboxamide
CID 4849926
5-(1,3-benzothiazol-2-yl)-N-(cyclopropylmethyl)thiophene-2-carboxamide
CID 33453322
5-(1,3-benzothiazol-2-yl)-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]thiophene-2-carboxamide
CID 55693389
N,5-bis(1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 5102836
N-[2-(1,3-benzothiazol-2-ylmethylamino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 18110779
1-[5-(1,3-benzothiazol-2-yl)thiophen-2-yl]-3-chloropropan-1-one
CID 2775468
5-(1,3-benzothiazol-2-yl)-N-(2-ethylphenyl)thiophene-2-carboxamide
CID 4731587
N-benzyl-2-(2-phenyl-1,3-benzothiazol-5-yl)acetamide
CID 1069055
[2-(methylamino)-2-oxoethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate
CID 2436417
1-[2-[[5-(1,3-benzothiazol-2-yl)thiophene-2-carbonyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide
CID 56544449
[2-oxo-2-(propylamino)ethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate
CID 2435002
[2-(carbamoylamino)-2-oxoethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate
CID 9271436

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-[2-(benzylamino)-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-[2-(benzylamino)-2-oxoethyl]thiophene-2-carboxamide (CID 46461899) is 5-(1,3-benzothiazol-2-yl)-N-[2-(benzylamino)-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(1,3-benzothiazol-2-yl)-N-[2-(benzylamino)-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(1,3-benzothiazol-2-yl)-N-[2-(benzylamino)-2-oxoethyl]thiophene-2-carboxamide is O=C(CNC(=O)c1ccc(-c2nc3ccccc3s2)s1)NCc1ccccc1.
What is the InChIKey of 5-(1,3-benzothiazol-2-yl)-N-[2-(benzylamino)-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is SXCLVYYRTFURFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2S2/c25-19(22-12-14-6-2-1-3-7-14)13-23-20(26)17-10-11-18(27-17)21-24-15-8-4-5-9-16(15)28-21/h1-11H,12-13H2,(H,22,25)(H,23,26).
What are the key properties of 5-(1,3-benzothiazol-2-yl)-N-[2-(benzylamino)-2-oxoethyl]thiophene-2-carboxamide?
5-(1,3-benzothiazol-2-yl)-N-[2-(benzylamino)-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 407.52 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzothiazol-2-yl)-N-[2-(benzylamino)-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 46461899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).