N-(3H-benzimidazol-5-ylmethyl)-3-ethyl-1,2,4-thiadiazol-5-amine

C12H13N5S — CID 126836079

IUPACN-(3H-benzimidazol-5-ylmethyl)-3-ethyl-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NCc2ccc3nc[nH]c3c2)n1
InChIInChI=1S/C12H13N5S/c1-2-11-16-12(18-17-11)13-6-8-3-4-9-10(5-8)15-7-14-9/h3-5,7H,2,6H2,1H3,(H,14,15)(H,13,16,17)
InChIKeyOBANMFNTFWJXNQ-UHFFFAOYSA-N
MW259.34 g/mol
LogP2.59
Rot. Bonds4

About N-(3H-benzimidazol-5-ylmethyl)-3-ethyl-1,2,4-thiadiazol-5-amine

N-(3H-benzimidazol-5-ylmethyl)-3-ethyl-1,2,4-thiadiazol-5-amine (PubChem CID 126836079) has the molecular formula C12H13N5S and a molecular weight of 259.34 g/mol. Its IUPAC name is N-(3H-benzimidazol-5-ylmethyl)-3-ethyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(3H-benzimidazol-5-ylmethyl)-3-ethyl-1,2,4-thiadiazol-5-amine
PubChem CID126836079
Molecular FormulaC12H13N5S
Molecular Weight259.34 g/mol
Exact Mass259.09
IUPAC NameN-(3H-benzimidazol-5-ylmethyl)-3-ethyl-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NCc2ccc3nc[nH]c3c2)n1
InChIInChI=1S/C12H13N5S/c1-2-11-16-12(18-17-11)13-6-8-3-4-9-10(5-8)15-7-14-9/h3-5,7H,2,6H2,1H3,(H,14,15)(H,13,16,17)
InChIKeyOBANMFNTFWJXNQ-UHFFFAOYSA-N
XLogP2.59
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.34
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenol
CID 115680838
N-[(3-aminophenyl)methyl]-3-ethyl-1,2,4-thiadiazol-5-amine
CID 65275975
N'-(3H-benzimidazol-5-ylmethyl)-N-methylmethanediamine
CID 115226891
N-(3H-benzimidazol-5-ylmethyl)-2-chloropyrimidin-4-amine
CID 88890559
3-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]-N-methylbenzamide
CID 133335514
(3H-benzimidazol-5-ylmethylamino)methanethiol
CID 115227972
6-pentyl-1H-benzimidazole
CID 58767911
2-(3H-benzimidazol-5-ylmethylamino)acetonitrile
CID 115131027
6-(2,2-dimethylpropyl)-1H-benzimidazole
CID 58236536
2-N-(3H-benzimidazol-5-ylmethyl)-3-methylpyridine-2,5-diamine
CID 115147966
[4-[(3H-benzimidazol-5-ylmethylamino)methyl]phenyl]methanamine
CID 115213218
2-(3H-benzimidazol-5-ylmethylamino)ethanethiol
CID 115223998

Frequently Asked Questions

What is the IUPAC name of N-(3H-benzimidazol-5-ylmethyl)-3-ethyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(3H-benzimidazol-5-ylmethyl)-3-ethyl-1,2,4-thiadiazol-5-amine (CID 126836079) is N-(3H-benzimidazol-5-ylmethyl)-3-ethyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(3H-benzimidazol-5-ylmethyl)-3-ethyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(3H-benzimidazol-5-ylmethyl)-3-ethyl-1,2,4-thiadiazol-5-amine is CCc1nsc(NCc2ccc3nc[nH]c3c2)n1.
What is the InChIKey of N-(3H-benzimidazol-5-ylmethyl)-3-ethyl-1,2,4-thiadiazol-5-amine?
The InChIKey is OBANMFNTFWJXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5S/c1-2-11-16-12(18-17-11)13-6-8-3-4-9-10(5-8)15-7-14-9/h3-5,7H,2,6H2,1H3,(H,14,15)(H,13,16,17).
What are the key properties of N-(3H-benzimidazol-5-ylmethyl)-3-ethyl-1,2,4-thiadiazol-5-amine?
N-(3H-benzimidazol-5-ylmethyl)-3-ethyl-1,2,4-thiadiazol-5-amine has a molecular weight of 259.34 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-benzimidazol-5-ylmethyl)-3-ethyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 126836079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).