2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(3H-benzimidazol-5-yl)acetamide

C15H17N5OS — CID 110450633

IUPAC2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(3H-benzimidazol-5-yl)acetamide
SMILESNCCCc1nc(CC(=O)Nc2ccc3nc[nH]c3c2)cs1
InChIInChI=1S/C15H17N5OS/c16-5-1-2-15-20-11(8-22-15)7-14(21)19-10-3-4-12-13(6-10)18-9-17-12/h3-4,6,8-9H,1-2,5,7,16H2,(H,17,18)(H,19,21)
InChIKeyXVDLXBWXUSYXGK-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.09
Rot. Bonds6

About 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(3H-benzimidazol-5-yl)acetamide

2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(3H-benzimidazol-5-yl)acetamide (PubChem CID 110450633) has the molecular formula C15H17N5OS and a molecular weight of 315.40 g/mol. Its IUPAC name is 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(3H-benzimidazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(3H-benzimidazol-5-yl)acetamide
PubChem CID110450633
Molecular FormulaC15H17N5OS
Molecular Weight315.40 g/mol
Exact Mass315.12
IUPAC Name2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(3H-benzimidazol-5-yl)acetamide
SMILESNCCCc1nc(CC(=O)Nc2ccc3nc[nH]c3c2)cs1
InChIInChI=1S/C15H17N5OS/c16-5-1-2-15-20-11(8-22-15)7-14(21)19-10-3-4-12-13(6-10)18-9-17-12/h3-4,6,8-9H,1-2,5,7,16H2,(H,17,18)(H,19,21)
InChIKeyXVDLXBWXUSYXGK-UHFFFAOYSA-N
XLogP2.09
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(3H-benzimidazol-5-yl)acetamide
CID 82547528
2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(4-hydroxyphenyl)acetamide
CID 82547722
2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(2-methyl-4-pyridinyl)acetamide
CID 82547746
methyl 4-[[2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetyl]amino]benzoate
CID 110450768
2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(3-cyanophenyl)acetamide
CID 82547638
N-(3H-benzimidazol-5-yl)-4-hydroxybutanamide
CID 115162816
N-(5-acetamido-2-methylphenyl)-2-[2-(2-aminoethyl)-1,3-thiazol-4-yl]acetamide
CID 110450916
4-[[2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetyl]amino]butanoic acid
CID 82547800
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(4-hydroxyphenyl)acetamide
CID 82547725
N-(3H-benzimidazol-5-yl)-3-chloropropanamide
CID 110460990
N-(4-fluorophenyl)-2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]acetamide
CID 110389679
2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 82547668

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(3H-benzimidazol-5-yl)acetamide?
The IUPAC name of 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(3H-benzimidazol-5-yl)acetamide (CID 110450633) is 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(3H-benzimidazol-5-yl)acetamide.
What is the SMILES notation for 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(3H-benzimidazol-5-yl)acetamide?
The canonical SMILES for 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(3H-benzimidazol-5-yl)acetamide is NCCCc1nc(CC(=O)Nc2ccc3nc[nH]c3c2)cs1.
What is the InChIKey of 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(3H-benzimidazol-5-yl)acetamide?
The InChIKey is XVDLXBWXUSYXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5OS/c16-5-1-2-15-20-11(8-22-15)7-14(21)19-10-3-4-12-13(6-10)18-9-17-12/h3-4,6,8-9H,1-2,5,7,16H2,(H,17,18)(H,19,21).
What are the key properties of 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(3H-benzimidazol-5-yl)acetamide?
2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(3H-benzimidazol-5-yl)acetamide has a molecular weight of 315.40 g/mol, XLogP of 2.09, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(3H-benzimidazol-5-yl)acetamide is sourced from PubChem (CID 110450633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).