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

C11H13N5S — CID 61284290

IUPACN-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(1H-pyrazol-5-yl)methanamine
SMILESCc1nc2sccn2c1CNCc1ccn[nH]1
InChIInChI=1S/C11H13N5S/c1-8-10(16-4-5-17-11(16)14-8)7-12-6-9-2-3-13-15-9/h2-5,12H,6-7H2,1H3,(H,13,15)
InChIKeySUVNOZAEYAAEDT-UHFFFAOYSA-N
MW247.33 g/mol
LogP1.72
Rot. Bonds4

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

N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(1H-pyrazol-5-yl)methanamine (PubChem CID 61284290) has the molecular formula C11H13N5S and a molecular weight of 247.33 g/mol. Its IUPAC name is N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(1H-pyrazol-5-yl)methanamine.

Molecular Properties

Compound NameN-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(1H-pyrazol-5-yl)methanamine
PubChem CID61284290
Molecular FormulaC11H13N5S
Molecular Weight247.33 g/mol
Exact Mass247.09
IUPAC NameN-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(1H-pyrazol-5-yl)methanamine
SMILESCc1nc2sccn2c1CNCc1ccn[nH]1
InChIInChI=1S/C11H13N5S/c1-8-10(16-4-5-17-11(16)14-8)7-12-6-9-2-3-13-15-9/h2-5,12H,6-7H2,1H3,(H,13,15)
InChIKeySUVNOZAEYAAEDT-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 N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(1H-pyrazol-5-yl)methanamine?
The IUPAC name of N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(1H-pyrazol-5-yl)methanamine (CID 61284290) is N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(1H-pyrazol-5-yl)methanamine.
What is the SMILES notation for N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(1H-pyrazol-5-yl)methanamine?
The canonical SMILES for N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(1H-pyrazol-5-yl)methanamine is Cc1nc2sccn2c1CNCc1ccn[nH]1.
What is the InChIKey of N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(1H-pyrazol-5-yl)methanamine?
The InChIKey is SUVNOZAEYAAEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5S/c1-8-10(16-4-5-17-11(16)14-8)7-12-6-9-2-3-13-15-9/h2-5,12H,6-7H2,1H3,(H,13,15).
What are the key properties of N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(1H-pyrazol-5-yl)methanamine?
N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(1H-pyrazol-5-yl)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 N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(1H-pyrazol-5-yl)methanamine is sourced from PubChem (CID 61284290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).