N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-1-(5-methyl-1,3-oxazol-4-yl)methanamine

C12H15N5OS — CID 146145149

IUPACN-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-1-(5-methyl-1,3-oxazol-4-yl)methanamine
SMILESCc1nn2c(CNCc3ncoc3C)c(C)nc2s1
InChIInChI=1S/C12H15N5OS/c1-7-11(17-12(15-7)19-9(3)16-17)5-13-4-10-8(2)18-6-14-10/h6,13H,4-5H2,1-3H3
InChIKeySCQQPYBDECRKAK-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.99
Rot. Bonds4

About N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-1-(5-methyl-1,3-oxazol-4-yl)methanamine

N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-1-(5-methyl-1,3-oxazol-4-yl)methanamine (PubChem CID 146145149) has the molecular formula C12H15N5OS and a molecular weight of 277.35 g/mol. Its IUPAC name is N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-1-(5-methyl-1,3-oxazol-4-yl)methanamine.

Molecular Properties

Compound NameN-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-1-(5-methyl-1,3-oxazol-4-yl)methanamine
PubChem CID146145149
Molecular FormulaC12H15N5OS
Molecular Weight277.35 g/mol
Exact Mass277.10
IUPAC NameN-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-1-(5-methyl-1,3-oxazol-4-yl)methanamine
SMILESCc1nn2c(CNCc3ncoc3C)c(C)nc2s1
InChIInChI=1S/C12H15N5OS/c1-7-11(17-12(15-7)19-9(3)16-17)5-13-4-10-8(2)18-6-14-10/h6,13H,4-5H2,1-3H3
InChIKeySCQQPYBDECRKAK-UHFFFAOYSA-N
XLogP1.99
TPSA68.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-1-(5-methyl-1,3-oxazol-4-yl)methanamine?
The IUPAC name of N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-1-(5-methyl-1,3-oxazol-4-yl)methanamine (CID 146145149) is N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-1-(5-methyl-1,3-oxazol-4-yl)methanamine.
What is the SMILES notation for N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-1-(5-methyl-1,3-oxazol-4-yl)methanamine?
The canonical SMILES for N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-1-(5-methyl-1,3-oxazol-4-yl)methanamine is Cc1nn2c(CNCc3ncoc3C)c(C)nc2s1.
What is the InChIKey of N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-1-(5-methyl-1,3-oxazol-4-yl)methanamine?
The InChIKey is SCQQPYBDECRKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5OS/c1-7-11(17-12(15-7)19-9(3)16-17)5-13-4-10-8(2)18-6-14-10/h6,13H,4-5H2,1-3H3.
What are the key properties of N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-1-(5-methyl-1,3-oxazol-4-yl)methanamine?
N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-1-(5-methyl-1,3-oxazol-4-yl)methanamine has a molecular weight of 277.35 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-1-(5-methyl-1,3-oxazol-4-yl)methanamine is sourced from PubChem (CID 146145149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).