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

C17H23N5OS — CID 97073264

IUPACN-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-[(2R,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine
SMILESCc1cn2c(CNC[C@H]3CCO[C@H]3c3cnn(C)c3)c(C)nc2s1
InChIInChI=1S/C17H23N5OS/c1-11-9-22-15(12(2)20-17(22)24-11)8-18-6-13-4-5-23-16(13)14-7-19-21(3)10-14/h7,9-10,13,16,18H,4-6,8H2,1-3H3/t13-,16-/m1/s1
InChIKeyIRMQYLRNBOBGJB-CZUORRHYSA-N
MW345.47 g/mol
LogP2.61
Rot. Bonds5

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

N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-[(2R,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine (PubChem CID 97073264) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-[(2R,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine.

Molecular Properties

Compound NameN-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-[(2R,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine
PubChem CID97073264
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC NameN-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-[(2R,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine
SMILESCc1cn2c(CNC[C@H]3CCO[C@H]3c3cnn(C)c3)c(C)nc2s1
InChIInChI=1S/C17H23N5OS/c1-11-9-22-15(12(2)20-17(22)24-11)8-18-6-13-4-5-23-16(13)14-7-19-21(3)10-14/h7,9-10,13,16,18H,4-6,8H2,1-3H3/t13-,16-/m1/s1
InChIKeyIRMQYLRNBOBGJB-CZUORRHYSA-N
XLogP2.61
TPSA56.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 97002741
1-[(2S,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-[(5-methylthiophen-2-yl)methyl]methanamine
CID 97006937
1-[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine
CID 96510850
1-cyclopropyl-N-[[(2R,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]methanamine
CID 97217161
1-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-(thiophen-2-ylmethyl)methanamine
CID 97075466
1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-(thiophen-2-ylmethyl)methanamine
CID 97075465
N,N-dimethyl-5-[[[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methylamino]methyl]-1,3-thiazol-2-amine
CID 71929280
1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-(thiophen-3-ylmethyl)methanamine
CID 71873043
N-[(1-ethylpyrazol-4-yl)methyl]-1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 71929279
N-[(3-methylimidazol-4-yl)methyl]-1-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 154761416
N-[(1-ethylpyrazol-4-yl)methyl]-1-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 97060263
1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-[(1-methylpyrrol-2-yl)methyl]methanamine
CID 97075757

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-[(2R,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine?
The IUPAC name of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-[(2R,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine (CID 97073264) is N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-[(2R,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine.
What is the SMILES notation for N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-[(2R,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine?
The canonical SMILES for N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-[(2R,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine is Cc1cn2c(CNC[C@H]3CCO[C@H]3c3cnn(C)c3)c(C)nc2s1.
What is the InChIKey of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-[(2R,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine?
The InChIKey is IRMQYLRNBOBGJB-CZUORRHYSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-11-9-22-15(12(2)20-17(22)24-11)8-18-6-13-4-5-23-16(13)14-7-19-21(3)10-14/h7,9-10,13,16,18H,4-6,8H2,1-3H3/t13-,16-/m1/s1.
What are the key properties of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-[(2R,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine?
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-[(2R,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine has a molecular weight of 345.47 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-[(2R,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine is sourced from PubChem (CID 97073264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).