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

C13H17N5S — CID 54896899

IUPACN-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)methanamine
SMILESCc1nc2scc(C)n2c1CNCc1cn[nH]c1C
InChIInChI=1S/C13H17N5S/c1-8-7-19-13-16-10(3)12(18(8)13)6-14-4-11-5-15-17-9(11)2/h5,7,14H,4,6H2,1-3H3,(H,15,17)
InChIKeyUPYVDNDEOKTWJS-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.33
Rot. Bonds4

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

N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)methanamine (PubChem CID 54896899) has the molecular formula C13H17N5S and a molecular weight of 275.38 g/mol. Its IUPAC name is N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)methanamine.

Molecular Properties

Compound NameN-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)methanamine
PubChem CID54896899
Molecular FormulaC13H17N5S
Molecular Weight275.38 g/mol
Exact Mass275.12
IUPAC NameN-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)methanamine
SMILESCc1nc2scc(C)n2c1CNCc1cn[nH]c1C
InChIInChI=1S/C13H17N5S/c1-8-7-19-13-16-10(3)12(18(8)13)6-14-4-11-5-15-17-9(11)2/h5,7,14H,4,6H2,1-3H3,(H,15,17)
InChIKeyUPYVDNDEOKTWJS-UHFFFAOYSA-N
XLogP2.33
TPSA58.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)methanamine?
The IUPAC name of N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)methanamine (CID 54896899) is N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)methanamine.
What is the SMILES notation for N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)methanamine?
The canonical SMILES for N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)methanamine is Cc1nc2scc(C)n2c1CNCc1cn[nH]c1C.
What is the InChIKey of N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)methanamine?
The InChIKey is UPYVDNDEOKTWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5S/c1-8-7-19-13-16-10(3)12(18(8)13)6-14-4-11-5-15-17-9(11)2/h5,7,14H,4,6H2,1-3H3,(H,15,17).
What are the key properties of N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)methanamine?
N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)methanamine has a molecular weight of 275.38 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)methanamine is sourced from PubChem (CID 54896899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).