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

C12H15N5S — CID 54896186

IUPACN-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)methanamine
SMILESCc1nc2sccn2c1CNCc1cn[nH]c1C
InChIInChI=1S/C12H15N5S/c1-8-10(6-14-16-8)5-13-7-11-9(2)15-12-17(11)3-4-18-12/h3-4,6,13H,5,7H2,1-2H3,(H,14,16)
InChIKeyPPKGSJFPPMOHJG-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.03
Rot. Bonds4

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

N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)methanamine (PubChem CID 54896186) has the molecular formula C12H15N5S and a molecular weight of 261.35 g/mol. Its IUPAC name is N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)methanamine.

Molecular Properties

Compound NameN-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)methanamine
PubChem CID54896186
Molecular FormulaC12H15N5S
Molecular Weight261.35 g/mol
Exact Mass261.10
IUPAC NameN-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)methanamine
SMILESCc1nc2sccn2c1CNCc1cn[nH]c1C
InChIInChI=1S/C12H15N5S/c1-8-10(6-14-16-8)5-13-7-11-9(2)15-12-17(11)3-4-18-12/h3-4,6,13H,5,7H2,1-2H3,(H,14,16)
InChIKeyPPKGSJFPPMOHJG-UHFFFAOYSA-N
XLogP2.03
TPSA58.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.03
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-(5-methyl-1H-pyrazol-4-yl)methanamine?
The IUPAC name of N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)methanamine (CID 54896186) is N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)methanamine.
What is the SMILES notation for N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)methanamine?
The canonical SMILES for N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)methanamine is Cc1nc2sccn2c1CNCc1cn[nH]c1C.
What is the InChIKey of N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)methanamine?
The InChIKey is PPKGSJFPPMOHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5S/c1-8-10(6-14-16-8)5-13-7-11-9(2)15-12-17(11)3-4-18-12/h3-4,6,13H,5,7H2,1-2H3,(H,14,16).
What are the key properties of N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)methanamine?
N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)methanamine has a molecular weight of 261.35 g/mol, XLogP of 2.03, 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-(5-methyl-1H-pyrazol-4-yl)methanamine is sourced from PubChem (CID 54896186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).