N-(4,4-dimethylthian-3-yl)-6-imidazol-1-ylpyridin-3-amine

C15H20N4S — CID 79949022

IUPACN-(4,4-dimethylthian-3-yl)-6-imidazol-1-ylpyridin-3-amine
SMILESCC1(C)CCSCC1Nc1ccc(-n2ccnc2)nc1
InChIInChI=1S/C15H20N4S/c1-15(2)5-8-20-10-13(15)18-12-3-4-14(17-9-12)19-7-6-16-11-19/h3-4,6-7,9,11,13,18H,5,8,10H2,1-2H3
InChIKeyGMSOXDHXCQBNIW-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.21
Rot. Bonds3

About N-(4,4-dimethylthian-3-yl)-6-imidazol-1-ylpyridin-3-amine

N-(4,4-dimethylthian-3-yl)-6-imidazol-1-ylpyridin-3-amine (PubChem CID 79949022) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is N-(4,4-dimethylthian-3-yl)-6-imidazol-1-ylpyridin-3-amine.

Molecular Properties

Compound NameN-(4,4-dimethylthian-3-yl)-6-imidazol-1-ylpyridin-3-amine
PubChem CID79949022
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC NameN-(4,4-dimethylthian-3-yl)-6-imidazol-1-ylpyridin-3-amine
SMILESCC1(C)CCSCC1Nc1ccc(-n2ccnc2)nc1
InChIInChI=1S/C15H20N4S/c1-15(2)5-8-20-10-13(15)18-12-3-4-14(17-9-12)19-7-6-16-11-19/h3-4,6-7,9,11,13,18H,5,8,10H2,1-2H3
InChIKeyGMSOXDHXCQBNIW-UHFFFAOYSA-N
XLogP3.21
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-imidazol-1-yl-N-(1-propan-2-ylpiperidin-4-yl)pyridin-3-amine
CID 43710570
N-tert-butyl-6-imidazol-1-ylpyridin-3-amine
CID 167253831
6-imidazol-1-yl-N-propylpyridin-3-amine
CID 43710767
N-(6-imidazol-1-yl-3-pyridinyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82823555
4,4-dimethyl-N-(4-methylsulfonylphenyl)thian-3-amine
CID 79951504
N-benzyl-6-imidazol-1-ylpyridin-3-amine
CID 43710619
N-(6-imidazol-1-yl-3-pyridinyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941131
N-(6-imidazol-1-yl-3-pyridinyl)ethanesulfonamide
CID 64592738
6-imidazol-1-yl-N-[1-(1-methylpiperidin-4-yl)ethyl]pyridin-3-amine
CID 43710508
4,4-dimethyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]thian-3-amine
CID 79954961
N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2,2-dimethylthiomorpholine-4-carboxamide
CID 71859690
6-imidazol-1-yl-N-[(4-methylsulfanylphenyl)methyl]pyridin-3-amine
CID 43710494

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylthian-3-yl)-6-imidazol-1-ylpyridin-3-amine?
The IUPAC name of N-(4,4-dimethylthian-3-yl)-6-imidazol-1-ylpyridin-3-amine (CID 79949022) is N-(4,4-dimethylthian-3-yl)-6-imidazol-1-ylpyridin-3-amine.
What is the SMILES notation for N-(4,4-dimethylthian-3-yl)-6-imidazol-1-ylpyridin-3-amine?
The canonical SMILES for N-(4,4-dimethylthian-3-yl)-6-imidazol-1-ylpyridin-3-amine is CC1(C)CCSCC1Nc1ccc(-n2ccnc2)nc1.
What is the InChIKey of N-(4,4-dimethylthian-3-yl)-6-imidazol-1-ylpyridin-3-amine?
The InChIKey is GMSOXDHXCQBNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S/c1-15(2)5-8-20-10-13(15)18-12-3-4-14(17-9-12)19-7-6-16-11-19/h3-4,6-7,9,11,13,18H,5,8,10H2,1-2H3.
What are the key properties of N-(4,4-dimethylthian-3-yl)-6-imidazol-1-ylpyridin-3-amine?
N-(4,4-dimethylthian-3-yl)-6-imidazol-1-ylpyridin-3-amine has a molecular weight of 288.42 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylthian-3-yl)-6-imidazol-1-ylpyridin-3-amine is sourced from PubChem (CID 79949022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).