N-[(1,4-dimethylpyrazol-3-yl)methyl]-1-imidazo[2,1-b][1,3]thiazol-6-ylmethanamine

C12H15N5S — CID 136558667

IUPACN-[(1,4-dimethylpyrazol-3-yl)methyl]-1-imidazo[2,1-b][1,3]thiazol-6-ylmethanamine
SMILESCc1cn(C)nc1CNCc1cn2ccsc2n1
InChIInChI=1S/C12H15N5S/c1-9-7-16(2)15-11(9)6-13-5-10-8-17-3-4-18-12(17)14-10/h3-4,7-8,13H,5-6H2,1-2H3
InChIKeyQWDOZFIVCQEQNF-UHFFFAOYSA-N
MW261.35 g/mol
LogP1.73
Rot. Bonds4

About N-[(1,4-dimethylpyrazol-3-yl)methyl]-1-imidazo[2,1-b][1,3]thiazol-6-ylmethanamine

N-[(1,4-dimethylpyrazol-3-yl)methyl]-1-imidazo[2,1-b][1,3]thiazol-6-ylmethanamine (PubChem CID 136558667) has the molecular formula C12H15N5S and a molecular weight of 261.35 g/mol. Its IUPAC name is N-[(1,4-dimethylpyrazol-3-yl)methyl]-1-imidazo[2,1-b][1,3]thiazol-6-ylmethanamine.

Molecular Properties

Compound NameN-[(1,4-dimethylpyrazol-3-yl)methyl]-1-imidazo[2,1-b][1,3]thiazol-6-ylmethanamine
PubChem CID136558667
Molecular FormulaC12H15N5S
Molecular Weight261.35 g/mol
Exact Mass261.10
IUPAC NameN-[(1,4-dimethylpyrazol-3-yl)methyl]-1-imidazo[2,1-b][1,3]thiazol-6-ylmethanamine
SMILESCc1cn(C)nc1CNCc1cn2ccsc2n1
InChIInChI=1S/C12H15N5S/c1-9-7-16(2)15-11(9)6-13-5-10-8-17-3-4-18-12(17)14-10/h3-4,7-8,13H,5-6H2,1-2H3
InChIKeyQWDOZFIVCQEQNF-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpyrazol-3-yl)methyl]-1-imidazo[2,1-b][1,3]thiazol-6-ylmethanamine?
The IUPAC name of N-[(1,4-dimethylpyrazol-3-yl)methyl]-1-imidazo[2,1-b][1,3]thiazol-6-ylmethanamine (CID 136558667) is N-[(1,4-dimethylpyrazol-3-yl)methyl]-1-imidazo[2,1-b][1,3]thiazol-6-ylmethanamine.
What is the SMILES notation for N-[(1,4-dimethylpyrazol-3-yl)methyl]-1-imidazo[2,1-b][1,3]thiazol-6-ylmethanamine?
The canonical SMILES for N-[(1,4-dimethylpyrazol-3-yl)methyl]-1-imidazo[2,1-b][1,3]thiazol-6-ylmethanamine is Cc1cn(C)nc1CNCc1cn2ccsc2n1.
What is the InChIKey of N-[(1,4-dimethylpyrazol-3-yl)methyl]-1-imidazo[2,1-b][1,3]thiazol-6-ylmethanamine?
The InChIKey is QWDOZFIVCQEQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5S/c1-9-7-16(2)15-11(9)6-13-5-10-8-17-3-4-18-12(17)14-10/h3-4,7-8,13H,5-6H2,1-2H3.
What are the key properties of N-[(1,4-dimethylpyrazol-3-yl)methyl]-1-imidazo[2,1-b][1,3]thiazol-6-ylmethanamine?
N-[(1,4-dimethylpyrazol-3-yl)methyl]-1-imidazo[2,1-b][1,3]thiazol-6-ylmethanamine has a molecular weight of 261.35 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpyrazol-3-yl)methyl]-1-imidazo[2,1-b][1,3]thiazol-6-ylmethanamine is sourced from PubChem (CID 136558667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).