N-[[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-4-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide

C18H27N5O2S — CID 131936690

IUPACN-[[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-4-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOCCn1cncc1CN1CCC(CNC(=O)c2scnc2C)CC1
InChIInChI=1S/C18H27N5O2S/c1-14-17(26-13-21-14)18(24)20-9-15-3-5-22(6-4-15)11-16-10-19-12-23(16)7-8-25-2/h10,12-13,15H,3-9,11H2,1-2H3,(H,20,24)
InChIKeyVBXRAKXSUAZWAG-UHFFFAOYSA-N
MW377.51 g/mol
LogP1.94
Rot. Bonds8

About N-[[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-4-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide

N-[[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-4-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 131936690) has the molecular formula C18H27N5O2S and a molecular weight of 377.51 g/mol. Its IUPAC name is N-[[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-4-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-4-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID131936690
Molecular FormulaC18H27N5O2S
Molecular Weight377.51 g/mol
Exact Mass377.19
IUPAC NameN-[[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-4-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOCCn1cncc1CN1CCC(CNC(=O)c2scnc2C)CC1
InChIInChI=1S/C18H27N5O2S/c1-14-17(26-13-21-14)18(24)20-9-15-3-5-22(6-4-15)11-16-10-19-12-23(16)7-8-25-2/h10,12-13,15H,3-9,11H2,1-2H3,(H,20,24)
InChIKeyVBXRAKXSUAZWAG-UHFFFAOYSA-N
XLogP1.94
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-4-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-4-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 131936690) is N-[[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-4-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-4-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-4-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide is COCCn1cncc1CN1CCC(CNC(=O)c2scnc2C)CC1.
What is the InChIKey of N-[[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-4-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is VBXRAKXSUAZWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2S/c1-14-17(26-13-21-14)18(24)20-9-15-3-5-22(6-4-15)11-16-10-19-12-23(16)7-8-25-2/h10,12-13,15H,3-9,11H2,1-2H3,(H,20,24).
What are the key properties of N-[[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-4-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide?
N-[[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-4-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 377.51 g/mol, XLogP of 1.94, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-4-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 131936690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).