N-[(2-methylphenyl)methyl]-5-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine

C17H15N5S — CID 58285576

IUPACN-[(2-methylphenyl)methyl]-5-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCc1ccccc1CNc1nn2c(-c3cccnc3)cnc2s1
InChIInChI=1S/C17H15N5S/c1-12-5-2-3-6-13(12)10-19-16-21-22-15(11-20-17(22)23-16)14-7-4-8-18-9-14/h2-9,11H,10H2,1H3,(H,19,21)
InChIKeyQGLTZRAQVOHETI-UHFFFAOYSA-N
MW321.41 g/mol
LogP3.77
Rot. Bonds4

About N-[(2-methylphenyl)methyl]-5-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine

N-[(2-methylphenyl)methyl]-5-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 58285576) has the molecular formula C17H15N5S and a molecular weight of 321.41 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-5-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-5-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID58285576
Molecular FormulaC17H15N5S
Molecular Weight321.41 g/mol
Exact Mass321.10
IUPAC NameN-[(2-methylphenyl)methyl]-5-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCc1ccccc1CNc1nn2c(-c3cccnc3)cnc2s1
InChIInChI=1S/C17H15N5S/c1-12-5-2-3-6-13(12)10-19-16-21-22-15(11-20-17(22)23-16)14-7-4-8-18-9-14/h2-9,11H,10H2,1H3,(H,19,21)
InChIKeyQGLTZRAQVOHETI-UHFFFAOYSA-N
XLogP3.77
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3-fluorophenyl)-N-[(2-methylphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 58285527
5-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 58285798
5-pyridin-4-yl-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 126673142
N-[[4-(dimethylamino)phenyl]methyl]-5-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 58285460
N-benzyl-5-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 58285706
N-methyl-5-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 56995827
N-benzyl-5-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 58285635
5-(4-propan-2-ylphenyl)-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 58285848
N-benzyl-5-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 162753485
4-[2-(furan-2-ylmethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-2,6-dimethylphenol
CID 44816263
N-(pyridin-4-ylmethyl)-5-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 58285628
5-[3-(dimethylamino)phenyl]-N-[[4-(dimethylamino)phenyl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 58285501

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-5-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of N-[(2-methylphenyl)methyl]-5-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 58285576) is N-[(2-methylphenyl)methyl]-5-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-5-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for N-[(2-methylphenyl)methyl]-5-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine is Cc1ccccc1CNc1nn2c(-c3cccnc3)cnc2s1.
What is the InChIKey of N-[(2-methylphenyl)methyl]-5-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is QGLTZRAQVOHETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5S/c1-12-5-2-3-6-13(12)10-19-16-21-22-15(11-20-17(22)23-16)14-7-4-8-18-9-14/h2-9,11H,10H2,1H3,(H,19,21).
What are the key properties of N-[(2-methylphenyl)methyl]-5-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
N-[(2-methylphenyl)methyl]-5-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 321.41 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-5-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 58285576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).