N-methyl-4-[1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-thiadiazol-3-amine

C16H14N6S — CID 164861414

IUPACN-methyl-4-[1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-thiadiazol-3-amine
SMILESCNc1nsnc1-c1nc2ccccc2n1Cc1cccnc1
InChIInChI=1S/C16H14N6S/c1-17-15-14(20-23-21-15)16-19-12-6-2-3-7-13(12)22(16)10-11-5-4-8-18-9-11/h2-9H,10H2,1H3,(H,17,21)
InChIKeyPAOVFXLVJIKLDB-UHFFFAOYSA-N
MW322.40 g/mol
LogP3.04
Rot. Bonds4

About N-methyl-4-[1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-thiadiazol-3-amine

N-methyl-4-[1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-thiadiazol-3-amine (PubChem CID 164861414) has the molecular formula C16H14N6S and a molecular weight of 322.40 g/mol. Its IUPAC name is N-methyl-4-[1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-thiadiazol-3-amine.

Molecular Properties

Compound NameN-methyl-4-[1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-thiadiazol-3-amine
PubChem CID164861414
Molecular FormulaC16H14N6S
Molecular Weight322.40 g/mol
Exact Mass322.10
IUPAC NameN-methyl-4-[1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-thiadiazol-3-amine
SMILESCNc1nsnc1-c1nc2ccccc2n1Cc1cccnc1
InChIInChI=1S/C16H14N6S/c1-17-15-14(20-23-21-15)16-19-12-6-2-3-7-13(12)22(16)10-11-5-4-8-18-9-11/h2-9H,10H2,1H3,(H,17,21)
InChIKeyPAOVFXLVJIKLDB-UHFFFAOYSA-N
XLogP3.04
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-ethyl-4-[1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-thiadiazole
CID 164861541
1-(pyridin-3-ylmethyl)-2-(pyrrolidin-1-ylmethyl)benzimidazole
CID 59172151
2-(1-ethylbenzimidazol-2-yl)-3-pyridin-3-ylpropan-1-amine
CID 83976202
4-[4-fluoro-1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-5-methylthiadiazole
CID 164861468
2-(2-pyridin-3-ylbenzimidazol-1-yl)ethanamine
CID 28752905
1-methyl-9-(pyridin-3-ylmethyl)pyrido[3,4-b]indole
CID 156780758
4-[5-(dimethylamino)-1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
CID 164861472
4-[6-fluoro-1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
CID 164861697
2-methyl-1-(pyridin-3-ylmethyl)indole-3-carbohydrazide
CID 91690120
(1S)-1-(1-methylbenzimidazol-2-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 28671585
2-(chloromethyl)-5-methyl-1-(pyridin-3-ylmethyl)benzimidazole
CID 43660329
1-ethyl-2-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]benzimidazole
CID 97013821

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-thiadiazol-3-amine?
The IUPAC name of N-methyl-4-[1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-thiadiazol-3-amine (CID 164861414) is N-methyl-4-[1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-thiadiazol-3-amine.
What is the SMILES notation for N-methyl-4-[1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-thiadiazol-3-amine?
The canonical SMILES for N-methyl-4-[1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-thiadiazol-3-amine is CNc1nsnc1-c1nc2ccccc2n1Cc1cccnc1.
What is the InChIKey of N-methyl-4-[1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-thiadiazol-3-amine?
The InChIKey is PAOVFXLVJIKLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6S/c1-17-15-14(20-23-21-15)16-19-12-6-2-3-7-13(12)22(16)10-11-5-4-8-18-9-11/h2-9H,10H2,1H3,(H,17,21).
What are the key properties of N-methyl-4-[1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-thiadiazol-3-amine?
N-methyl-4-[1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-thiadiazol-3-amine has a molecular weight of 322.40 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-thiadiazol-3-amine is sourced from PubChem (CID 164861414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).