N-ethyl-4-[(2-propylbenzimidazol-1-yl)methyl]thiadiazol-5-amine

C15H19N5S — CID 115971046

IUPACN-ethyl-4-[(2-propylbenzimidazol-1-yl)methyl]thiadiazol-5-amine
SMILESCCCc1nc2ccccc2n1Cc1nnsc1NCC
InChIInChI=1S/C15H19N5S/c1-3-7-14-17-11-8-5-6-9-13(11)20(14)10-12-15(16-4-2)21-19-18-12/h5-6,8-9,16H,3-4,7,10H2,1-2H3
InChIKeyQPXYLJCAEURAIK-UHFFFAOYSA-N
MW301.42 g/mol
LogP3.32
Rot. Bonds6

About N-ethyl-4-[(2-propylbenzimidazol-1-yl)methyl]thiadiazol-5-amine

N-ethyl-4-[(2-propylbenzimidazol-1-yl)methyl]thiadiazol-5-amine (PubChem CID 115971046) has the molecular formula C15H19N5S and a molecular weight of 301.42 g/mol. Its IUPAC name is N-ethyl-4-[(2-propylbenzimidazol-1-yl)methyl]thiadiazol-5-amine.

Molecular Properties

Compound NameN-ethyl-4-[(2-propylbenzimidazol-1-yl)methyl]thiadiazol-5-amine
PubChem CID115971046
Molecular FormulaC15H19N5S
Molecular Weight301.42 g/mol
Exact Mass301.14
IUPAC NameN-ethyl-4-[(2-propylbenzimidazol-1-yl)methyl]thiadiazol-5-amine
SMILESCCCc1nc2ccccc2n1Cc1nnsc1NCC
InChIInChI=1S/C15H19N5S/c1-3-7-14-17-11-8-5-6-9-13(11)20(14)10-12-15(16-4-2)21-19-18-12/h5-6,8-9,16H,3-4,7,10H2,1-2H3
InChIKeyQPXYLJCAEURAIK-UHFFFAOYSA-N
XLogP3.32
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-4-[(2-propylbenzimidazol-1-yl)methyl]thiadiazole
CID 112683284
4-[(2-ethylbenzimidazol-1-yl)methyl]thiadiazol-5-amine
CID 55177426
2-[1-[[5-(methylamino)thiadiazol-4-yl]methyl]benzimidazol-2-yl]acetonitrile
CID 63640515
1-benzyl-2-propylbenzimidazole
CID 764560
3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1,3-benzoxazol-2-one
CID 55046530
2-propyl-1-(pyrimidin-2-ylmethyl)benzimidazole
CID 116626997
1-[(4-methylphenyl)methyl]-2-propylbenzimidazole
CID 884778
4-(1,3-dihydroisoindol-2-ylmethyl)-N-ethylthiadiazol-5-amine
CID 62231992
1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-propylbenzimidazole
CID 116627005
1-[(4-iodophenyl)methyl]-2-propylbenzimidazole
CID 115970804
1-[(1-ethylimidazol-2-yl)methyl]-2-propylbenzimidazole
CID 116626980
1-[(3-ethylimidazol-4-yl)methyl]-2-propylbenzimidazole
CID 116627018

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(2-propylbenzimidazol-1-yl)methyl]thiadiazol-5-amine?
The IUPAC name of N-ethyl-4-[(2-propylbenzimidazol-1-yl)methyl]thiadiazol-5-amine (CID 115971046) is N-ethyl-4-[(2-propylbenzimidazol-1-yl)methyl]thiadiazol-5-amine.
What is the SMILES notation for N-ethyl-4-[(2-propylbenzimidazol-1-yl)methyl]thiadiazol-5-amine?
The canonical SMILES for N-ethyl-4-[(2-propylbenzimidazol-1-yl)methyl]thiadiazol-5-amine is CCCc1nc2ccccc2n1Cc1nnsc1NCC.
What is the InChIKey of N-ethyl-4-[(2-propylbenzimidazol-1-yl)methyl]thiadiazol-5-amine?
The InChIKey is QPXYLJCAEURAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5S/c1-3-7-14-17-11-8-5-6-9-13(11)20(14)10-12-15(16-4-2)21-19-18-12/h5-6,8-9,16H,3-4,7,10H2,1-2H3.
What are the key properties of N-ethyl-4-[(2-propylbenzimidazol-1-yl)methyl]thiadiazol-5-amine?
N-ethyl-4-[(2-propylbenzimidazol-1-yl)methyl]thiadiazol-5-amine has a molecular weight of 301.42 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(2-propylbenzimidazol-1-yl)methyl]thiadiazol-5-amine is sourced from PubChem (CID 115971046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).