1-[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine

C17H23N5OS — CID 96510850

IUPAC1-[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine
SMILESCCn1cc([C@H]2OCC[C@H]2CNCc2c(C)nc3sccn23)cn1
InChIInChI=1S/C17H23N5OS/c1-3-21-11-14(9-19-21)16-13(4-6-23-16)8-18-10-15-12(2)20-17-22(15)5-7-24-17/h5,7,9,11,13,16,18H,3-4,6,8,10H2,1-2H3/t13-,16-/m0/s1
InChIKeySOCIPWMBGZHLTR-BBRMVZONSA-N
MW345.47 g/mol
LogP2.79
Rot. Bonds6

About 1-[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine

1-[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine (PubChem CID 96510850) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is 1-[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine
PubChem CID96510850
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC Name1-[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine
SMILESCCn1cc([C@H]2OCC[C@H]2CNCc2c(C)nc3sccn23)cn1
InChIInChI=1S/C17H23N5OS/c1-3-21-11-14(9-19-21)16-13(4-6-23-16)8-18-10-15-12(2)20-17-22(15)5-7-24-17/h5,7,9,11,13,16,18H,3-4,6,8,10H2,1-2H3/t13-,16-/m0/s1
InChIKeySOCIPWMBGZHLTR-BBRMVZONSA-N
XLogP2.79
TPSA56.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine with MolForge

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Related Compounds

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
1-[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 96997495
1-[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]methanamine
CID 96997103
1-[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(furan-2-ylmethyl)methanamine
CID 96997531
1-[(2R,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(furan-2-ylmethyl)methanamine
CID 96997534
N-[(1-ethylpyrazol-4-yl)methyl]-1-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 97060263
N-[(1-ethylpyrazol-4-yl)methyl]-1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 71929279
N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(oxan-4-yl)methanamine
CID 63221874
N-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 113344558
1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]methanamine
CID 96510905
1-[(2R,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]methanamine
CID 96510930
1-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(pyridin-2-ylmethyl)methanamine
CID 97060257

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine?
The IUPAC name of 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) is 1-[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine is CCn1cc([C@H]2OCC[C@H]2CNCc2c(C)nc3sccn23)cn1.
What is the InChIKey of 1-[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine?
The InChIKey is SOCIPWMBGZHLTR-BBRMVZONSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-3-21-11-14(9-19-21)16-13(4-6-23-16)8-18-10-15-12(2)20-17-22(15)5-7-24-17/h5,7,9,11,13,16,18H,3-4,6,8,10H2,1-2H3/t13-,16-/m0/s1.
What are the key properties of 1-[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine?
1-[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine has a molecular weight of 345.47 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine is sourced from PubChem (CID 96510850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).