2-[[5-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

C19H17N5OS2 — CID 3231104

IUPAC2-[[5-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1ccc2nc(-c3ccc(SCC(=O)Nc4nc(C)cs4)nc3)[nH]c2c1
InChIInChI=1S/C19H17N5OS2/c1-11-3-5-14-15(7-11)23-18(22-14)13-4-6-17(20-8-13)26-10-16(25)24-19-21-12(2)9-27-19/h3-9H,10H2,1-2H3,(H,22,23)(H,21,24,25)
InChIKeyVCCOMOCJKDPJCU-UHFFFAOYSA-N
MW395.51 g/mol
LogP4.43
Rot. Bonds5

About 2-[[5-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

2-[[5-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 3231104) has the molecular formula C19H17N5OS2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 2-[[5-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[[5-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID3231104
Molecular FormulaC19H17N5OS2
Molecular Weight395.51 g/mol
Exact Mass395.09
IUPAC Name2-[[5-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1ccc2nc(-c3ccc(SCC(=O)Nc4nc(C)cs4)nc3)[nH]c2c1
InChIInChI=1S/C19H17N5OS2/c1-11-3-5-14-15(7-11)23-18(22-14)13-4-6-17(20-8-13)26-10-16(25)24-19-21-12(2)9-27-19/h3-9H,10H2,1-2H3,(H,22,23)(H,21,24,25)
InChIKeyVCCOMOCJKDPJCU-UHFFFAOYSA-N
XLogP4.43
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[[5-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 3231104) is 2-[[5-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[[5-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[[5-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is Cc1ccc2nc(-c3ccc(SCC(=O)Nc4nc(C)cs4)nc3)[nH]c2c1.
What is the InChIKey of 2-[[5-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is VCCOMOCJKDPJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5OS2/c1-11-3-5-14-15(7-11)23-18(22-14)13-4-6-17(20-8-13)26-10-16(25)24-19-21-12(2)9-27-19/h3-9H,10H2,1-2H3,(H,22,23)(H,21,24,25).
What are the key properties of 2-[[5-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-[[5-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 395.51 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 3231104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).