N-[(6-chloro-3-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(oxolan-2-yl)methanamine

C12H16ClN3OS — CID 82364464

IUPACN-[(6-chloro-3-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(oxolan-2-yl)methanamine
SMILESCc1csc2nc(Cl)c(CNCC3CCCO3)n12
InChIInChI=1S/C12H16ClN3OS/c1-8-7-18-12-15-11(13)10(16(8)12)6-14-5-9-3-2-4-17-9/h7,9,14H,2-6H2,1H3
InChIKeyGGTMUOMQWSTHKL-UHFFFAOYSA-N
MW285.80 g/mol
LogP2.63
Rot. Bonds4

About N-[(6-chloro-3-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(oxolan-2-yl)methanamine

N-[(6-chloro-3-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(oxolan-2-yl)methanamine (PubChem CID 82364464) has the molecular formula C12H16ClN3OS and a molecular weight of 285.80 g/mol. Its IUPAC name is N-[(6-chloro-3-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(oxolan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(6-chloro-3-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(oxolan-2-yl)methanamine
PubChem CID82364464
Molecular FormulaC12H16ClN3OS
Molecular Weight285.80 g/mol
Exact Mass285.07
IUPAC NameN-[(6-chloro-3-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(oxolan-2-yl)methanamine
SMILESCc1csc2nc(Cl)c(CNCC3CCCO3)n12
InChIInChI=1S/C12H16ClN3OS/c1-8-7-18-12-15-11(13)10(16(8)12)6-14-5-9-3-2-4-17-9/h7,9,14H,2-6H2,1H3
InChIKeyGGTMUOMQWSTHKL-UHFFFAOYSA-N
XLogP2.63
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.80
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(6-chloro-3-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(oxolan-2-yl)methanamine with MolForge

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Related Compounds

2-cyclopentyl-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 54932056
N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 124932035
N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine
CID 60856365
N-[(3-chloro-4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 63195312
N-[(1,5-dimethylpyrrol-2-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 100792161
N-[(2-chloro-8-methylquinolin-3-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 3219489
N-[(3,4-dichlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 7324570
4-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-amine
CID 29273850
6-chloro-2-methyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine
CID 62480935
N-[(6-methyl-2-pyridinyl)methyl]-1-(oxolan-2-yl)methanamine
CID 60984970
N-[[4-(chloromethyl)phenyl]methyl]-1-(oxolan-2-yl)methanamine
CID 107232896
N-[(4-chlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 787812

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-3-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(oxolan-2-yl)methanamine?
The IUPAC name of N-[(6-chloro-3-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(oxolan-2-yl)methanamine (CID 82364464) is N-[(6-chloro-3-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(oxolan-2-yl)methanamine.
What is the SMILES notation for N-[(6-chloro-3-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(oxolan-2-yl)methanamine?
The canonical SMILES for N-[(6-chloro-3-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(oxolan-2-yl)methanamine is Cc1csc2nc(Cl)c(CNCC3CCCO3)n12.
What is the InChIKey of N-[(6-chloro-3-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(oxolan-2-yl)methanamine?
The InChIKey is GGTMUOMQWSTHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3OS/c1-8-7-18-12-15-11(13)10(16(8)12)6-14-5-9-3-2-4-17-9/h7,9,14H,2-6H2,1H3.
What are the key properties of N-[(6-chloro-3-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(oxolan-2-yl)methanamine?
N-[(6-chloro-3-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(oxolan-2-yl)methanamine has a molecular weight of 285.80 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-3-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(oxolan-2-yl)methanamine is sourced from PubChem (CID 82364464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).