N-(1,3-benzothiazol-2-yl)-2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]sulfanylacetamide

C19H15ClN4OS2 — CID 7151077

IUPACN-(1,3-benzothiazol-2-yl)-2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]sulfanylacetamide
SMILESO=C(CSc1nccn1Cc1ccc(Cl)cc1)Nc1nc2ccccc2s1
InChIInChI=1S/C19H15ClN4OS2/c20-14-7-5-13(6-8-14)11-24-10-9-21-19(24)26-12-17(25)23-18-22-15-3-1-2-4-16(15)27-18/h1-10H,11-12H2,(H,22,23,25)
InChIKeyLUFVSFYZEXHJNI-UHFFFAOYSA-N
MW414.94 g/mol
LogP4.93
Rot. Bonds6

About N-(1,3-benzothiazol-2-yl)-2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]sulfanylacetamide

N-(1,3-benzothiazol-2-yl)-2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]sulfanylacetamide (PubChem CID 7151077) has the molecular formula C19H15ClN4OS2 and a molecular weight of 414.94 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]sulfanylacetamide
PubChem CID7151077
Molecular FormulaC19H15ClN4OS2
Molecular Weight414.94 g/mol
Exact Mass414.04
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]sulfanylacetamide
SMILESO=C(CSc1nccn1Cc1ccc(Cl)cc1)Nc1nc2ccccc2s1
InChIInChI=1S/C19H15ClN4OS2/c20-14-7-5-13(6-8-14)11-24-10-9-21-19(24)26-12-17(25)23-18-22-15-3-1-2-4-16(15)27-18/h1-10H,11-12H2,(H,22,23,25)
InChIKeyLUFVSFYZEXHJNI-UHFFFAOYSA-N
XLogP4.93
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.94
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]sulfanylacetamide (CID 7151077) is N-(1,3-benzothiazol-2-yl)-2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]sulfanylacetamide is O=C(CSc1nccn1Cc1ccc(Cl)cc1)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]sulfanylacetamide?
The InChIKey is LUFVSFYZEXHJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4OS2/c20-14-7-5-13(6-8-14)11-24-10-9-21-19(24)26-12-17(25)23-18-22-15-3-1-2-4-16(15)27-18/h1-10H,11-12H2,(H,22,23,25).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]sulfanylacetamide?
N-(1,3-benzothiazol-2-yl)-2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]sulfanylacetamide has a molecular weight of 414.94 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 7151077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).