N-(1,3-benzothiazol-2-yl)-2-[1-(2-methoxyphenyl)imidazol-2-yl]sulfanylacetamide

C19H16N4O2S2 — CID 7150937

IUPACN-(1,3-benzothiazol-2-yl)-2-[1-(2-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCOc1ccccc1-n1ccnc1SCC(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C19H16N4O2S2/c1-25-15-8-4-3-7-14(15)23-11-10-20-19(23)26-12-17(24)22-18-21-13-6-2-5-9-16(13)27-18/h2-11H,12H2,1H3,(H,21,22,24)
InChIKeyAMOUFJMCDUOGSK-UHFFFAOYSA-N
MW396.50 g/mol
LogP4.22
Rot. Bonds6

About N-(1,3-benzothiazol-2-yl)-2-[1-(2-methoxyphenyl)imidazol-2-yl]sulfanylacetamide

N-(1,3-benzothiazol-2-yl)-2-[1-(2-methoxyphenyl)imidazol-2-yl]sulfanylacetamide (PubChem CID 7150937) has the molecular formula C19H16N4O2S2 and a molecular weight of 396.50 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-[1-(2-methoxyphenyl)imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-[1-(2-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
PubChem CID7150937
Molecular FormulaC19H16N4O2S2
Molecular Weight396.50 g/mol
Exact Mass396.07
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-[1-(2-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCOc1ccccc1-n1ccnc1SCC(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C19H16N4O2S2/c1-25-15-8-4-3-7-14(15)23-11-10-20-19(23)26-12-17(24)22-18-21-13-6-2-5-9-16(13)27-18/h2-11H,12H2,1H3,(H,21,22,24)
InChIKeyAMOUFJMCDUOGSK-UHFFFAOYSA-N
XLogP4.22
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-[1-(2-methoxyphenyl)imidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-[1-(2-methoxyphenyl)imidazol-2-yl]sulfanylacetamide (CID 7150937) is N-(1,3-benzothiazol-2-yl)-2-[1-(2-methoxyphenyl)imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-[1-(2-methoxyphenyl)imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-[1-(2-methoxyphenyl)imidazol-2-yl]sulfanylacetamide is COc1ccccc1-n1ccnc1SCC(=O)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-[1-(2-methoxyphenyl)imidazol-2-yl]sulfanylacetamide?
The InChIKey is AMOUFJMCDUOGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S2/c1-25-15-8-4-3-7-14(15)23-11-10-20-19(23)26-12-17(24)22-18-21-13-6-2-5-9-16(13)27-18/h2-11H,12H2,1H3,(H,21,22,24).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-[1-(2-methoxyphenyl)imidazol-2-yl]sulfanylacetamide?
N-(1,3-benzothiazol-2-yl)-2-[1-(2-methoxyphenyl)imidazol-2-yl]sulfanylacetamide has a molecular weight of 396.50 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-[1-(2-methoxyphenyl)imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 7150937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).