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

C13H13N5OS — CID 82547528

IUPAC2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(3H-benzimidazol-5-yl)acetamide
SMILESNCc1nc(CC(=O)Nc2ccc3nc[nH]c3c2)cs1
InChIInChI=1S/C13H13N5OS/c14-5-13-18-9(6-20-13)4-12(19)17-8-1-2-10-11(3-8)16-7-15-10/h1-3,6-7H,4-5,14H2,(H,15,16)(H,17,19)
InChIKeyHQJHECYAZITWAM-UHFFFAOYSA-N
MW287.35 g/mol
LogP1.66
Rot. Bonds4

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

2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(3H-benzimidazol-5-yl)acetamide (PubChem CID 82547528) has the molecular formula C13H13N5OS and a molecular weight of 287.35 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(3H-benzimidazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(3H-benzimidazol-5-yl)acetamide
PubChem CID82547528
Molecular FormulaC13H13N5OS
Molecular Weight287.35 g/mol
Exact Mass287.08
IUPAC Name2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(3H-benzimidazol-5-yl)acetamide
SMILESNCc1nc(CC(=O)Nc2ccc3nc[nH]c3c2)cs1
InChIInChI=1S/C13H13N5OS/c14-5-13-18-9(6-20-13)4-12(19)17-8-1-2-10-11(3-8)16-7-15-10/h1-3,6-7H,4-5,14H2,(H,15,16)(H,17,19)
InChIKeyHQJHECYAZITWAM-UHFFFAOYSA-N
XLogP1.66
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(3H-benzimidazol-5-yl)acetamide
CID 110450633
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(4-hydroxyphenyl)acetamide
CID 82547725
4-[[2-[2-(aminomethyl)-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 82547522
N-(3H-benzimidazol-5-yl)-3-chloropropanamide
CID 110460990
N-(3H-benzimidazol-5-yl)-2-isocyanoacetamide
CID 108814811
N-(3H-benzimidazol-5-yl)-4-hydroxybutanamide
CID 115162816
N-(3H-benzimidazol-5-yl)-2-(ethylamino)acetamide
CID 115157714
2-(3H-benzimidazol-5-yl)-N-(4-fluorophenyl)acetamide
CID 110772459
1-amino-3-(3H-benzimidazol-5-yl)urea
CID 115192411
2-(aminomethyl)-N-(3H-benzimidazol-5-yl)butanamide
CID 115186850
3H-benzimidazol-5-ylcarbamothioic S-acid
CID 115169734
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(5-methyl-2-pyridinyl)acetamide
CID 82547737

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(3H-benzimidazol-5-yl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(3H-benzimidazol-5-yl)acetamide (CID 82547528) is 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(3H-benzimidazol-5-yl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(3H-benzimidazol-5-yl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(3H-benzimidazol-5-yl)acetamide is NCc1nc(CC(=O)Nc2ccc3nc[nH]c3c2)cs1.
What is the InChIKey of 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(3H-benzimidazol-5-yl)acetamide?
The InChIKey is HQJHECYAZITWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5OS/c14-5-13-18-9(6-20-13)4-12(19)17-8-1-2-10-11(3-8)16-7-15-10/h1-3,6-7H,4-5,14H2,(H,15,16)(H,17,19).
What are the key properties of 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(3H-benzimidazol-5-yl)acetamide?
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(3H-benzimidazol-5-yl)acetamide has a molecular weight of 287.35 g/mol, XLogP of 1.66, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(3H-benzimidazol-5-yl)acetamide is sourced from PubChem (CID 82547528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).