N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide

C24H25N5OS2 — CID 112794428

IUPACN-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
SMILESCCn1c(SCC(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)nc2ccccc21
InChIInChI=1S/C24H25N5OS2/c1-2-29-20-11-7-6-10-18(20)26-24(29)31-16-22(30)27-23-25-19-12-13-28(15-21(19)32-23)14-17-8-4-3-5-9-17/h3-11H,2,12-16H2,1H3,(H,25,27,30)
InChIKeyMIHKIWIXEAEZBT-UHFFFAOYSA-N
MW463.63 g/mol
LogP4.80
Rot. Bonds7

About N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide

N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide (PubChem CID 112794428) has the molecular formula C24H25N5OS2 and a molecular weight of 463.63 g/mol. Its IUPAC name is N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
PubChem CID112794428
Molecular FormulaC24H25N5OS2
Molecular Weight463.63 g/mol
Exact Mass463.15
IUPAC NameN-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
SMILESCCn1c(SCC(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)nc2ccccc21
InChIInChI=1S/C24H25N5OS2/c1-2-29-20-11-7-6-10-18(20)26-24(29)31-16-22(30)27-23-25-19-12-13-28(15-21(19)32-23)14-17-8-4-3-5-9-17/h3-11H,2,12-16H2,1H3,(H,25,27,30)
InChIKeyMIHKIWIXEAEZBT-UHFFFAOYSA-N
XLogP4.80
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.63
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide (CID 112794428) is N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide is CCn1c(SCC(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)nc2ccccc21.
What is the InChIKey of N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide?
The InChIKey is MIHKIWIXEAEZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5OS2/c1-2-29-20-11-7-6-10-18(20)26-24(29)31-16-22(30)27-23-25-19-12-13-28(15-21(19)32-23)14-17-8-4-3-5-9-17/h3-11H,2,12-16H2,1H3,(H,25,27,30).
What are the key properties of N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide?
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide has a molecular weight of 463.63 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 112794428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).