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

C17H16N6S — CID 133454871

IUPACN-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
SMILESCN(Cc1nc2ccccc2n1C)c1nnc(-c2ccccn2)s1
InChIInChI=1S/C17H16N6S/c1-22(11-15-19-12-7-3-4-9-14(12)23(15)2)17-21-20-16(24-17)13-8-5-6-10-18-13/h3-10H,11H2,1-2H3
InChIKeyMGCQZZRXIAHLGK-UHFFFAOYSA-N
MW336.42 g/mol
LogP3.12
Rot. Bonds4

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

N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine (PubChem CID 133454871) has the molecular formula C17H16N6S and a molecular weight of 336.42 g/mol. Its IUPAC name is N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
PubChem CID133454871
Molecular FormulaC17H16N6S
Molecular Weight336.42 g/mol
Exact Mass336.12
IUPAC NameN-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
SMILESCN(Cc1nc2ccccc2n1C)c1nnc(-c2ccccn2)s1
InChIInChI=1S/C17H16N6S/c1-22(11-15-19-12-7-3-4-9-14(12)23(15)2)17-21-20-16(24-17)13-8-5-6-10-18-13/h3-10H,11H2,1-2H3
InChIKeyMGCQZZRXIAHLGK-UHFFFAOYSA-N
XLogP3.12
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-bromophenyl)methyl]-N-methyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133467109
N-[(3,4-dichlorophenyl)methyl]-N-methyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133467141
N-[(2,3-dichlorophenyl)methyl]-N-methyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133467107
6-chloro-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]pyrazin-2-amine
CID 133346066
(E)-N-methyl-N,N',N'-tris[(1-methylbenzimidazol-2-yl)methyl]ethene-1,2-diamine
CID 22114991
N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-1-pyridin-3-ylmethanamine
CID 71864058
2-(iodomethyl)-1-methylbenzimidazole
CID 20803299
1-methyl-2-[4-(1-methylbenzimidazol-2-yl)butyl]benzimidazole
CID 171320881
4-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]quinoline-2-carbonitrile
CID 133346083
N-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
CID 654941
N-(2-bromophenyl)-2-[methyl-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]acetamide
CID 133467116
2-(benzimidazol-1-ylmethyl)-1-methylbenzimidazole
CID 659092

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine (CID 133454871) is N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine is CN(Cc1nc2ccccc2n1C)c1nnc(-c2ccccn2)s1.
What is the InChIKey of N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is MGCQZZRXIAHLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6S/c1-22(11-15-19-12-7-3-4-9-14(12)23(15)2)17-21-20-16(24-17)13-8-5-6-10-18-13/h3-10H,11H2,1-2H3.
What are the key properties of N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 336.42 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 133454871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).