N-[[6-(3,5-dimethylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]cyclopropanamine

C14H17N5S — CID 43476560

IUPACN-[[6-(3,5-dimethylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]cyclopropanamine
SMILESCc1cc(C)n(-c2nc3sccn3c2CNC2CC2)n1
InChIInChI=1S/C14H17N5S/c1-9-7-10(2)19(17-9)13-12(8-15-11-3-4-11)18-5-6-20-14(18)16-13/h5-7,11,15H,3-4,8H2,1-2H3
InChIKeyNHMZCEMVAGHSAM-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.45
Rot. Bonds4

About N-[[6-(3,5-dimethylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]cyclopropanamine

N-[[6-(3,5-dimethylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]cyclopropanamine (PubChem CID 43476560) has the molecular formula C14H17N5S and a molecular weight of 287.39 g/mol. Its IUPAC name is N-[[6-(3,5-dimethylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[6-(3,5-dimethylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]cyclopropanamine
PubChem CID43476560
Molecular FormulaC14H17N5S
Molecular Weight287.39 g/mol
Exact Mass287.12
IUPAC NameN-[[6-(3,5-dimethylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]cyclopropanamine
SMILESCc1cc(C)n(-c2nc3sccn3c2CNC2CC2)n1
InChIInChI=1S/C14H17N5S/c1-9-7-10(2)19(17-9)13-12(8-15-11-3-4-11)18-5-6-20-14(18)16-13/h5-7,11,15H,3-4,8H2,1-2H3
InChIKeyNHMZCEMVAGHSAM-UHFFFAOYSA-N
XLogP2.45
TPSA47.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-ylpyrimidin-4-yl]-1,3-thiazol-2-amine
CID 72945513
2-{1-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-imidazol-2-yl}-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
CID 70785769
N-[(1,4-dimethylpyrazol-3-yl)methyl]-1-imidazo[2,1-b][1,3]thiazol-6-ylmethanamine
CID 136558667
2-[[3-(Fluoromethyl)-5-methylpyrazol-1-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazol-5-amine
CID 156330405
N-[[2-(2-amino-6-methylpyrimidin-4-yl)-5-methylpyrazol-3-yl]methyl]-1,3-thiazol-2-amine
CID 126962343
N-methyl-1-[6-[3-(trifluoromethyl)pyrazol-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 61631550
N-[[6-[3-(trifluoromethyl)pyrazol-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
CID 61631749
[6-[3-(Trifluoromethyl)pyrazol-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 61631794
2-[6-[3-(Trifluoromethyl)pyrazol-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 63816259
1-[6-[3-(Trifluoromethyl)pyrazol-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine
CID 63817492
1-[1-(2,2-difluorocyclopropyl)pyrazol-3-yl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine
CID 166274782
6-Methyl-5-[[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
CID 168053211

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3,5-dimethylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[6-(3,5-dimethylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]cyclopropanamine (CID 43476560) is N-[[6-(3,5-dimethylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[6-(3,5-dimethylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[6-(3,5-dimethylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]cyclopropanamine is Cc1cc(C)n(-c2nc3sccn3c2CNC2CC2)n1.
What is the InChIKey of N-[[6-(3,5-dimethylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]cyclopropanamine?
The InChIKey is NHMZCEMVAGHSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5S/c1-9-7-10(2)19(17-9)13-12(8-15-11-3-4-11)18-5-6-20-14(18)16-13/h5-7,11,15H,3-4,8H2,1-2H3.
What are the key properties of N-[[6-(3,5-dimethylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]cyclopropanamine?
N-[[6-(3,5-dimethylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]cyclopropanamine has a molecular weight of 287.39 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3,5-dimethylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 43476560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).