[5-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-pyridin-3-ylmethanamine

C18H17N5O2S — CID 67221799

IUPAC[5-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-pyridin-3-ylmethanamine
SMILESCOc1ccc(-c2cnc3sc(C(N)c4cccnc4)nn23)cc1OC
InChIInChI=1S/C18H17N5O2S/c1-24-14-6-5-11(8-15(14)25-2)13-10-21-18-23(13)22-17(26-18)16(19)12-4-3-7-20-9-12/h3-10,16H,19H2,1-2H3
InChIKeyHUIJNSCSWWQESI-UHFFFAOYSA-N
MW367.43 g/mol
LogP2.92
Rot. Bonds5

About [5-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-pyridin-3-ylmethanamine

[5-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-pyridin-3-ylmethanamine (PubChem CID 67221799) has the molecular formula C18H17N5O2S and a molecular weight of 367.43 g/mol. Its IUPAC name is [5-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-pyridin-3-ylmethanamine.

Molecular Properties

Compound Name[5-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-pyridin-3-ylmethanamine
PubChem CID67221799
Molecular FormulaC18H17N5O2S
Molecular Weight367.43 g/mol
Exact Mass367.11
IUPAC Name[5-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-pyridin-3-ylmethanamine
SMILESCOc1ccc(-c2cnc3sc(C(N)c4cccnc4)nn23)cc1OC
InChIInChI=1S/C18H17N5O2S/c1-24-14-6-5-11(8-15(14)25-2)13-10-21-18-23(13)22-17(26-18)16(19)12-4-3-7-20-9-12/h3-10,16H,19H2,1-2H3
InChIKeyHUIJNSCSWWQESI-UHFFFAOYSA-N
XLogP2.92
TPSA87.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [5-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-pyridin-3-ylmethanamine?
The IUPAC name of [5-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-pyridin-3-ylmethanamine (CID 67221799) is [5-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-pyridin-3-ylmethanamine.
What is the SMILES notation for [5-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-pyridin-3-ylmethanamine?
The canonical SMILES for [5-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-pyridin-3-ylmethanamine is COc1ccc(-c2cnc3sc(C(N)c4cccnc4)nn23)cc1OC.
What is the InChIKey of [5-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-pyridin-3-ylmethanamine?
The InChIKey is HUIJNSCSWWQESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2S/c1-24-14-6-5-11(8-15(14)25-2)13-10-21-18-23(13)22-17(26-18)16(19)12-4-3-7-20-9-12/h3-10,16H,19H2,1-2H3.
What are the key properties of [5-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-pyridin-3-ylmethanamine?
[5-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-pyridin-3-ylmethanamine has a molecular weight of 367.43 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-pyridin-3-ylmethanamine is sourced from PubChem (CID 67221799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).