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

C14H17N5S — CID 61016174

IUPACN-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine
SMILESCc1nccc(CNCc2c(C)nc3scc(C)n23)n1
InChIInChI=1S/C14H17N5S/c1-9-8-20-14-17-10(2)13(19(9)14)7-15-6-12-4-5-16-11(3)18-12/h4-5,8,15H,6-7H2,1-3H3
InChIKeyIXXQKMAFWWASNR-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.40
Rot. Bonds4

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

N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine (PubChem CID 61016174) has the molecular formula C14H17N5S and a molecular weight of 287.39 g/mol. Its IUPAC name is N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine.

Molecular Properties

Compound NameN-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine
PubChem CID61016174
Molecular FormulaC14H17N5S
Molecular Weight287.39 g/mol
Exact Mass287.12
IUPAC NameN-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine
SMILESCc1nccc(CNCc2c(C)nc3scc(C)n23)n1
InChIInChI=1S/C14H17N5S/c1-9-8-20-14-17-10(2)13(19(9)14)7-15-6-12-4-5-16-11(3)18-12/h4-5,8,15H,6-7H2,1-3H3
InChIKeyIXXQKMAFWWASNR-UHFFFAOYSA-N
XLogP2.40
TPSA55.11 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 ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2-methylpropan-2-ol
CID 65103083
1-cyclopropyl-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine
CID 43756750
N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]hexan-1-amine
CID 43769657
2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-N,N-dimethylacetamide
CID 43775364
1-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2-methylbutan-2-ol
CID 65108373
1-(2-methylpyrimidin-4-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 62747714
2-cyclopentyl-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 54932056
2-[[2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]acetyl]amino]acetic acid
CID 82364436
N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-phenylsulfanylethanamine
CID 60976809
N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-7-methyloctan-1-amine
CID 43771297
2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-N-propylacetamide
CID 43777779
(1R)-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-pyridin-2-ylethanamine
CID 81401969

Frequently Asked Questions

What is the IUPAC name of N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine?
The IUPAC name of N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine (CID 61016174) is N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine.
What is the SMILES notation for N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine?
The canonical SMILES for N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine is Cc1nccc(CNCc2c(C)nc3scc(C)n23)n1.
What is the InChIKey of N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine?
The InChIKey is IXXQKMAFWWASNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5S/c1-9-8-20-14-17-10(2)13(19(9)14)7-15-6-12-4-5-16-11(3)18-12/h4-5,8,15H,6-7H2,1-3H3.
What are the key properties of N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine?
N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine has a molecular weight of 287.39 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 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-(2-methylpyrimidin-4-yl)methanamine is sourced from PubChem (CID 61016174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).