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

C13H13N5S — CID 65268608

IUPAC3-(1H-benzimidazol-2-ylmethyl)-N-cyclopropyl-1,2,4-thiadiazol-5-amine
SMILESc1ccc2[nH]c(Cc3nsc(NC4CC4)n3)nc2c1
InChIInChI=1S/C13H13N5S/c1-2-4-10-9(3-1)15-11(16-10)7-12-17-13(19-18-12)14-8-5-6-8/h1-4,8H,5-7H2,(H,15,16)(H,14,17,18)
InChIKeyJAJJTJATCSFQFW-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.58
Rot. Bonds4

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

3-(1H-benzimidazol-2-ylmethyl)-N-cyclopropyl-1,2,4-thiadiazol-5-amine (PubChem CID 65268608) has the molecular formula C13H13N5S and a molecular weight of 271.35 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-ylmethyl)-N-cyclopropyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-ylmethyl)-N-cyclopropyl-1,2,4-thiadiazol-5-amine
PubChem CID65268608
Molecular FormulaC13H13N5S
Molecular Weight271.35 g/mol
Exact Mass271.09
IUPAC Name3-(1H-benzimidazol-2-ylmethyl)-N-cyclopropyl-1,2,4-thiadiazol-5-amine
SMILESc1ccc2[nH]c(Cc3nsc(NC4CC4)n3)nc2c1
InChIInChI=1S/C13H13N5S/c1-2-4-10-9(3-1)15-11(16-10)7-12-17-13(19-18-12)14-8-5-6-8/h1-4,8H,5-7H2,(H,15,16)(H,14,17,18)
InChIKeyJAJJTJATCSFQFW-UHFFFAOYSA-N
XLogP2.58
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-3-(pyridin-2-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 65268605
N-(1H-benzimidazol-2-ylmethyl)cyclobutanamine
CID 78991541
N-(1H-benzimidazol-2-ylmethyl)thian-4-amine
CID 78911306
4-N-(1H-benzimidazol-2-ylmethyl)cyclohexane-1,4-diamine
CID 79740858
2-(1H-benzimidazol-2-ylmethyl)-6-cyclopropyl-N-methylpyrimidin-4-amine
CID 63639303
1-(1H-benzimidazol-2-yl)-N-methylmethanamine;dihydrochloride
CID 13169407
2-[(4,6-dichloropyrimidin-2-yl)methyl]-1H-benzimidazole
CID 63637718
3-[(2-bromophenyl)sulfanylmethyl]-N-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 66144310
2-[(4-methylphenyl)methyl]-1H-benzimidazole
CID 772158
3-(1H-benzimidazol-2-ylmethyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 63637202
N-(1H-benzimidazol-2-ylmethyl)-1-cyclopropylmethanamine
CID 43655401
N-(1H-benzimidazol-2-ylmethyl)-1,1-dicyclopropylmethanamine
CID 78991581

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-ylmethyl)-N-cyclopropyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(1H-benzimidazol-2-ylmethyl)-N-cyclopropyl-1,2,4-thiadiazol-5-amine (CID 65268608) is 3-(1H-benzimidazol-2-ylmethyl)-N-cyclopropyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(1H-benzimidazol-2-ylmethyl)-N-cyclopropyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(1H-benzimidazol-2-ylmethyl)-N-cyclopropyl-1,2,4-thiadiazol-5-amine is c1ccc2[nH]c(Cc3nsc(NC4CC4)n3)nc2c1.
What is the InChIKey of 3-(1H-benzimidazol-2-ylmethyl)-N-cyclopropyl-1,2,4-thiadiazol-5-amine?
The InChIKey is JAJJTJATCSFQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5S/c1-2-4-10-9(3-1)15-11(16-10)7-12-17-13(19-18-12)14-8-5-6-8/h1-4,8H,5-7H2,(H,15,16)(H,14,17,18).
What are the key properties of 3-(1H-benzimidazol-2-ylmethyl)-N-cyclopropyl-1,2,4-thiadiazol-5-amine?
3-(1H-benzimidazol-2-ylmethyl)-N-cyclopropyl-1,2,4-thiadiazol-5-amine has a molecular weight of 271.35 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-ylmethyl)-N-cyclopropyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65268608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).