1-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine

C11H13N5S — CID 86808980

IUPAC1-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
SMILESCc1[nH]ncc1CNCc1cn2ccsc2n1
InChIInChI=1S/C11H13N5S/c1-8-9(5-13-15-8)4-12-6-10-7-16-2-3-17-11(16)14-10/h2-3,5,7,12H,4,6H2,1H3,(H,13,15)
InChIKeySUWHKRZOTRDHMU-UHFFFAOYSA-N
MW247.33 g/mol
LogP1.72
Rot. Bonds4

About 1-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine

1-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine (PubChem CID 86808980) has the molecular formula C11H13N5S and a molecular weight of 247.33 g/mol. Its IUPAC name is 1-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
PubChem CID86808980
Molecular FormulaC11H13N5S
Molecular Weight247.33 g/mol
Exact Mass247.09
IUPAC Name1-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
SMILESCc1[nH]ncc1CNCc1cn2ccsc2n1
InChIInChI=1S/C11H13N5S/c1-8-9(5-13-15-8)4-12-6-10-7-16-2-3-17-11(16)14-10/h2-3,5,7,12H,4,6H2,1H3,(H,13,15)
InChIKeySUWHKRZOTRDHMU-UHFFFAOYSA-N
XLogP1.72
TPSA58.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine (CID 86808980) is 1-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine is Cc1[nH]ncc1CNCc1cn2ccsc2n1.
What is the InChIKey of 1-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine?
The InChIKey is SUWHKRZOTRDHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5S/c1-8-9(5-13-15-8)4-12-6-10-7-16-2-3-17-11(16)14-10/h2-3,5,7,12H,4,6H2,1H3,(H,13,15).
What are the key properties of 1-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine?
1-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine has a molecular weight of 247.33 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 86808980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).