1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-methylpyrazol-4-yl]-N-methylmethanamine

C12H15N5S — CID 113289386

IUPAC1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-methylpyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1cnn(Cc2cn3ccsc3n2)c1C
InChIInChI=1S/C12H15N5S/c1-9-10(5-13-2)6-14-17(9)8-11-7-16-3-4-18-12(16)15-11/h3-4,6-7,13H,5,8H2,1-2H3
InChIKeyJXQABDWQPGDJGV-UHFFFAOYSA-N
MW261.35 g/mol
LogP1.67
Rot. Bonds4

About 1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-methylpyrazol-4-yl]-N-methylmethanamine

1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-methylpyrazol-4-yl]-N-methylmethanamine (PubChem CID 113289386) has the molecular formula C12H15N5S and a molecular weight of 261.35 g/mol. Its IUPAC name is 1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-methylpyrazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-methylpyrazol-4-yl]-N-methylmethanamine
PubChem CID113289386
Molecular FormulaC12H15N5S
Molecular Weight261.35 g/mol
Exact Mass261.10
IUPAC Name1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-methylpyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1cnn(Cc2cn3ccsc3n2)c1C
InChIInChI=1S/C12H15N5S/c1-9-10(5-13-2)6-14-17(9)8-11-7-16-3-4-18-12(16)15-11/h3-4,6-7,13H,5,8H2,1-2H3
InChIKeyJXQABDWQPGDJGV-UHFFFAOYSA-N
XLogP1.67
TPSA47.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-imidazo[2,1-b][1,3]thiazol-6-ylmethanamine
CID 103851404
2-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
CID 115334618
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223734
6-[(2,3,4-trimethylpyrrol-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 115334565
N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 115334632
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methylbutan-2-amine
CID 81334513
6-(chloromethyl)imidazo[2,1-b][1,3]thiazole
CID 18804066
5-ethyl-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)triazol-4-amine
CID 115335314
N-methyl-1-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methanamine
CID 54982266
6-(chloromethyl)imidazo[2,1-b][1,3]thiazole;hydrochloride
CID 76851866
6-[(2-methylimidazol-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 78918699
1-(1,5-dimethylpyrazol-4-yl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine
CID 105174084

Frequently Asked Questions

What is the IUPAC name of 1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-methylpyrazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-methylpyrazol-4-yl]-N-methylmethanamine (CID 113289386) is 1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-methylpyrazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-methylpyrazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-methylpyrazol-4-yl]-N-methylmethanamine is CNCc1cnn(Cc2cn3ccsc3n2)c1C.
What is the InChIKey of 1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-methylpyrazol-4-yl]-N-methylmethanamine?
The InChIKey is JXQABDWQPGDJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5S/c1-9-10(5-13-2)6-14-17(9)8-11-7-16-3-4-18-12(16)15-11/h3-4,6-7,13H,5,8H2,1-2H3.
What are the key properties of 1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-methylpyrazol-4-yl]-N-methylmethanamine?
1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-methylpyrazol-4-yl]-N-methylmethanamine has a molecular weight of 261.35 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-methylpyrazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 113289386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).