N-[[1-[(6-chloro-3-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide

C18H25ClN4O2S — CID 131932305

IUPACN-[[1-[(6-chloro-3-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide
SMILESCc1csc2nc(Cl)c(CN3CCC(CNC(=O)C4CCOC4)CC3)n12
InChIInChI=1S/C18H25ClN4O2S/c1-12-11-26-18-21-16(19)15(23(12)18)9-22-5-2-13(3-6-22)8-20-17(24)14-4-7-25-10-14/h11,13-14H,2-10H2,1H3,(H,20,24)
InChIKeyNRXPNSQCJSICNN-UHFFFAOYSA-N
MW396.94 g/mol
LogP2.72
Rot. Bonds5

About N-[[1-[(6-chloro-3-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide

N-[[1-[(6-chloro-3-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide (PubChem CID 131932305) has the molecular formula C18H25ClN4O2S and a molecular weight of 396.94 g/mol. Its IUPAC name is N-[[1-[(6-chloro-3-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[[1-[(6-chloro-3-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide
PubChem CID131932305
Molecular FormulaC18H25ClN4O2S
Molecular Weight396.94 g/mol
Exact Mass396.14
IUPAC NameN-[[1-[(6-chloro-3-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide
SMILESCc1csc2nc(Cl)c(CN3CCC(CNC(=O)C4CCOC4)CC3)n12
InChIInChI=1S/C18H25ClN4O2S/c1-12-11-26-18-21-16(19)15(23(12)18)9-22-5-2-13(3-6-22)8-20-17(24)14-4-7-25-10-14/h11,13-14H,2-10H2,1H3,(H,20,24)
InChIKeyNRXPNSQCJSICNN-UHFFFAOYSA-N
XLogP2.72
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.94
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[1-[(6-chloro-3-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide with MolForge

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Related Compounds

N-[[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide
CID 131922768
N-[[1-(3-methylpyrazin-2-yl)piperidin-4-yl]methyl]oxolane-3-carboxamide
CID 131950838
N-[(4-chlorocyclohexyl)methyl]oxolane-3-carboxamide
CID 106133423
N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine
CID 60856365
N-[(6-chloro-3-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 82364464
N-[[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methyl]oxolane-3-carboxamide
CID 131907956
(3S)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]oxolane-3-carboxamide
CID 124527551
(1S)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 94819295
N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 49056636
N-[[4-fluoro-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide
CID 166600641
N-[2,2-dimethyl-3-(oxolane-3-carbonylamino)propyl]oxolane-3-carboxamide
CID 127304188
N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]oxane-3-carboxamide
CID 128973167

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(6-chloro-3-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide?
The IUPAC name of N-[[1-[(6-chloro-3-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide (CID 131932305) is N-[[1-[(6-chloro-3-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[[1-[(6-chloro-3-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide?
The canonical SMILES for N-[[1-[(6-chloro-3-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide is Cc1csc2nc(Cl)c(CN3CCC(CNC(=O)C4CCOC4)CC3)n12.
What is the InChIKey of N-[[1-[(6-chloro-3-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide?
The InChIKey is NRXPNSQCJSICNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN4O2S/c1-12-11-26-18-21-16(19)15(23(12)18)9-22-5-2-13(3-6-22)8-20-17(24)14-4-7-25-10-14/h11,13-14H,2-10H2,1H3,(H,20,24).
What are the key properties of N-[[1-[(6-chloro-3-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide?
N-[[1-[(6-chloro-3-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide has a molecular weight of 396.94 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(6-chloro-3-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide is sourced from PubChem (CID 131932305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).