N-[[4-(dimethylamino)phenyl]methyl]-5-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine

C19H20N6OS — CID 58285764

IUPACN-[[4-(dimethylamino)phenyl]methyl]-5-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCOc1ccc(-c2cnc3sc(NCc4ccc(N(C)C)cc4)nn23)cn1
InChIInChI=1S/C19H20N6OS/c1-24(2)15-7-4-13(5-8-15)10-21-18-23-25-16(12-22-19(25)27-18)14-6-9-17(26-3)20-11-14/h4-9,11-12H,10H2,1-3H3,(H,21,23)
InChIKeyCXXNKTMBMFKCTG-UHFFFAOYSA-N
MW380.48 g/mol
LogP3.54
Rot. Bonds6

About N-[[4-(dimethylamino)phenyl]methyl]-5-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine

N-[[4-(dimethylamino)phenyl]methyl]-5-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 58285764) has the molecular formula C19H20N6OS and a molecular weight of 380.48 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-5-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-5-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID58285764
Molecular FormulaC19H20N6OS
Molecular Weight380.48 g/mol
Exact Mass380.14
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-5-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCOc1ccc(-c2cnc3sc(NCc4ccc(N(C)C)cc4)nn23)cn1
InChIInChI=1S/C19H20N6OS/c1-24(2)15-7-4-13(5-8-15)10-21-18-23-25-16(12-22-19(25)27-18)14-6-9-17(26-3)20-11-14/h4-9,11-12H,10H2,1-3H3,(H,21,23)
InChIKeyCXXNKTMBMFKCTG-UHFFFAOYSA-N
XLogP3.54
TPSA67.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.48
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-5-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-5-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 58285764) is N-[[4-(dimethylamino)phenyl]methyl]-5-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-5-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-5-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is COc1ccc(-c2cnc3sc(NCc4ccc(N(C)C)cc4)nn23)cn1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-5-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is CXXNKTMBMFKCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6OS/c1-24(2)15-7-4-13(5-8-15)10-21-18-23-25-16(12-22-19(25)27-18)14-6-9-17(26-3)20-11-14/h4-9,11-12H,10H2,1-3H3,(H,21,23).
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-5-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
N-[[4-(dimethylamino)phenyl]methyl]-5-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 380.48 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-5-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 58285764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).