N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-3-phenylsulfanylpropanamide

C19H15N3OS3 — CID 4185251

IUPACN-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)Nc1nc(-c2nc3ccccc3s2)cs1
InChIInChI=1S/C19H15N3OS3/c23-17(10-11-24-13-6-2-1-3-7-13)22-19-21-15(12-25-19)18-20-14-8-4-5-9-16(14)26-18/h1-9,12H,10-11H2,(H,21,22,23)
InChIKeyXTKSHIRUHRJFFQ-UHFFFAOYSA-N
MW397.55 g/mol
LogP5.54
Rot. Bonds6

About N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-3-phenylsulfanylpropanamide

N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-3-phenylsulfanylpropanamide (PubChem CID 4185251) has the molecular formula C19H15N3OS3 and a molecular weight of 397.55 g/mol. Its IUPAC name is N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-3-phenylsulfanylpropanamide
PubChem CID4185251
Molecular FormulaC19H15N3OS3
Molecular Weight397.55 g/mol
Exact Mass397.04
IUPAC NameN-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)Nc1nc(-c2nc3ccccc3s2)cs1
InChIInChI=1S/C19H15N3OS3/c23-17(10-11-24-13-6-2-1-3-7-13)22-19-21-15(12-25-19)18-20-14-8-4-5-9-16(14)26-18/h1-9,12H,10-11H2,(H,21,22,23)
InChIKeyXTKSHIRUHRJFFQ-UHFFFAOYSA-N
XLogP5.54
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.55
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-4-(4-chlorophenyl)sulfonylbutanamide
CID 18586047
N-(4-phenyl-1,3-thiazol-2-yl)-3-quinolin-2-ylsulfanylpropanamide
CID 39765830
N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 4188758
N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-4-phenylsulfanylbutanamide
CID 4038932
N-(6-bromo-1,3-benzothiazol-2-yl)-3-phenylsulfanylpropanamide
CID 3315961
3-(4-chlorophenyl)sulfanyl-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]propanamide
CID 2444908
N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 4673623
N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-4-phenylsulfanylbutanamide
CID 18585565
N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2-(2,4-dichlorophenoxy)acetamide
CID 4611500
N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-phenylsulfanylpropanamide
CID 4653790
N-(6-acetamido-1,3-benzothiazol-2-yl)-3-phenylsulfanylpropanamide
CID 4281794
N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 8718110

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-3-phenylsulfanylpropanamide?
The IUPAC name of N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-3-phenylsulfanylpropanamide (CID 4185251) is N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-3-phenylsulfanylpropanamide?
The canonical SMILES for N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-3-phenylsulfanylpropanamide is O=C(CCSc1ccccc1)Nc1nc(-c2nc3ccccc3s2)cs1.
What is the InChIKey of N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-3-phenylsulfanylpropanamide?
The InChIKey is XTKSHIRUHRJFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3OS3/c23-17(10-11-24-13-6-2-1-3-7-13)22-19-21-15(12-25-19)18-20-14-8-4-5-9-16(14)26-18/h1-9,12H,10-11H2,(H,21,22,23).
What are the key properties of N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-3-phenylsulfanylpropanamide?
N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-3-phenylsulfanylpropanamide has a molecular weight of 397.55 g/mol, XLogP of 5.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-3-phenylsulfanylpropanamide is sourced from PubChem (CID 4185251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).