N-(1,3-benzothiazol-2-yl)-2-phenylsulfanyl-N-(2-pyrazol-1-ylethyl)acetamide

C20H18N4OS2 — CID 30868361

IUPACN-(1,3-benzothiazol-2-yl)-2-phenylsulfanyl-N-(2-pyrazol-1-ylethyl)acetamide
SMILESO=C(CSc1ccccc1)N(CCn1cccn1)c1nc2ccccc2s1
InChIInChI=1S/C20H18N4OS2/c25-19(15-26-16-7-2-1-3-8-16)24(14-13-23-12-6-11-21-23)20-22-17-9-4-5-10-18(17)27-20/h1-12H,13-15H2
InChIKeyMNVZKOOAJDSGCL-UHFFFAOYSA-N
MW394.53 g/mol
LogP4.32
Rot. Bonds7

About N-(1,3-benzothiazol-2-yl)-2-phenylsulfanyl-N-(2-pyrazol-1-ylethyl)acetamide

N-(1,3-benzothiazol-2-yl)-2-phenylsulfanyl-N-(2-pyrazol-1-ylethyl)acetamide (PubChem CID 30868361) has the molecular formula C20H18N4OS2 and a molecular weight of 394.53 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-phenylsulfanyl-N-(2-pyrazol-1-ylethyl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-phenylsulfanyl-N-(2-pyrazol-1-ylethyl)acetamide
PubChem CID30868361
Molecular FormulaC20H18N4OS2
Molecular Weight394.53 g/mol
Exact Mass394.09
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-phenylsulfanyl-N-(2-pyrazol-1-ylethyl)acetamide
SMILESO=C(CSc1ccccc1)N(CCn1cccn1)c1nc2ccccc2s1
InChIInChI=1S/C20H18N4OS2/c25-19(15-26-16-7-2-1-3-8-16)24(14-13-23-12-6-11-21-23)20-22-17-9-4-5-10-18(17)27-20/h1-12H,13-15H2
InChIKeyMNVZKOOAJDSGCL-UHFFFAOYSA-N
XLogP4.32
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.53
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzothiazol-2-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2369356
N-(1,3-benzothiazol-2-yl)-2-(2H-triazol-4-ylsulfanyl)acetamide
CID 6411115
2-[5-(Benzothiazol-2-ylsulfanylmethyl)-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl]-N-pyridin-2-ylmethyl-acetamide
CID 1629837
3-[4-[1-(2-Benzothiazolyl)-4-piperazinyl]butyl]-4-thiazolidinone
CID 10762097
N-(1,3-benzothiazol-2-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2165076
1-[[5-(1,3-Benzothiazol-2-ylmethylsulfanyl)-4-pyridin-2-yl-1,2,4-triazol-3-yl]methyl]azepan-2-one
CID 2997774
N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
CID 7208637
N-(3-(dimethylamino)propyl)-N-(6-fluorobenzo[d]thiazol-2-yl)benzo[d]thiazole-2-carboxamide hydrochloride
CID 12006028
N-(benzo[d]thiazol-2-yl)-N-(pyridin-2-ylmethyl)butyramide
CID 18576679
Benzothiazole, 2-(4-aminopyrazol-1-yl)-
CID 206702
N-1,3-benzothiazol-2-yl-2-(4-nitro-1H-pyrazol-1-yl)acetamide
CID 1256176
N-(1,3-benzothiazol-2-yl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide
CID 4104270

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-phenylsulfanyl-N-(2-pyrazol-1-ylethyl)acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-phenylsulfanyl-N-(2-pyrazol-1-ylethyl)acetamide (CID 30868361) is N-(1,3-benzothiazol-2-yl)-2-phenylsulfanyl-N-(2-pyrazol-1-ylethyl)acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-phenylsulfanyl-N-(2-pyrazol-1-ylethyl)acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-phenylsulfanyl-N-(2-pyrazol-1-ylethyl)acetamide is O=C(CSc1ccccc1)N(CCn1cccn1)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-phenylsulfanyl-N-(2-pyrazol-1-ylethyl)acetamide?
The InChIKey is MNVZKOOAJDSGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4OS2/c25-19(15-26-16-7-2-1-3-8-16)24(14-13-23-12-6-11-21-23)20-22-17-9-4-5-10-18(17)27-20/h1-12H,13-15H2.
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-phenylsulfanyl-N-(2-pyrazol-1-ylethyl)acetamide?
N-(1,3-benzothiazol-2-yl)-2-phenylsulfanyl-N-(2-pyrazol-1-ylethyl)acetamide has a molecular weight of 394.53 g/mol, XLogP of 4.32, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-phenylsulfanyl-N-(2-pyrazol-1-ylethyl)acetamide is sourced from PubChem (CID 30868361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).