N-methyl-5-[(oxolan-2-ylmethylamino)methyl]-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide

C21H26N4O2S — CID 45231682

IUPACN-methyl-5-[(oxolan-2-ylmethylamino)methyl]-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCN(CCc1ccccc1)C(=O)c1nc2sccn2c1CNCC1CCCO1
InChIInChI=1S/C21H26N4O2S/c1-24(10-9-16-6-3-2-4-7-16)20(26)19-18(25-11-13-28-21(25)23-19)15-22-14-17-8-5-12-27-17/h2-4,6-7,11,13,17,22H,5,8-10,12,14-15H2,1H3
InChIKeyMNKFHWVEKYXYAZ-UHFFFAOYSA-N
MW398.53 g/mol
LogP2.98
Rot. Bonds8

About N-methyl-5-[(oxolan-2-ylmethylamino)methyl]-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide

N-methyl-5-[(oxolan-2-ylmethylamino)methyl]-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide (PubChem CID 45231682) has the molecular formula C21H26N4O2S and a molecular weight of 398.53 g/mol. Its IUPAC name is N-methyl-5-[(oxolan-2-ylmethylamino)methyl]-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[(oxolan-2-ylmethylamino)methyl]-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
PubChem CID45231682
Molecular FormulaC21H26N4O2S
Molecular Weight398.53 g/mol
Exact Mass398.18
IUPAC NameN-methyl-5-[(oxolan-2-ylmethylamino)methyl]-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCN(CCc1ccccc1)C(=O)c1nc2sccn2c1CNCC1CCCO1
InChIInChI=1S/C21H26N4O2S/c1-24(10-9-16-6-3-2-4-7-16)20(26)19-18(25-11-13-28-21(25)23-19)15-22-14-17-8-5-12-27-17/h2-4,6-7,11,13,17,22H,5,8-10,12,14-15H2,1H3
InChIKeyMNKFHWVEKYXYAZ-UHFFFAOYSA-N
XLogP2.98
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-5-[[methyl(oxan-2-ylmethyl)amino]methyl]-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 45246149
N-methyl-5-[[[(3S)-oxolan-3-yl]amino]methyl]-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 28665933
N-methyl-5-(morpholin-4-ylmethyl)-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 56869710
5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-N-methyl-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 56863269
5-[[(3R)-3,4-dimethylpiperazin-1-yl]methyl]-N-methyl-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 95558896
N-ethyl-5-(ethylaminomethyl)-N-(oxolan-2-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 61435596
2-[acetyl(2-phenylethyl)amino]-N-(oxolan-2-ylmethyl)acetamide
CID 113163958
6-N-(oxolan-2-ylmethyl)-2-N-(3-phenylpropyl)pyridine-2,6-dicarboxamide
CID 109096175
2-[methylsulfonyl(2-phenylethyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 963775
N'-benzyl-N-(oxolan-2-ylmethyl)oxamide
CID 21211581
N-benzyl-2-(oxan-2-ylmethylamino)acetamide
CID 60971571
1-benzyl-3-[[(2S)-oxolan-2-yl]methyl]-1-(2-phenylethyl)thiourea
CID 7027975

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[(oxolan-2-ylmethylamino)methyl]-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The IUPAC name of N-methyl-5-[(oxolan-2-ylmethylamino)methyl]-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide (CID 45231682) is N-methyl-5-[(oxolan-2-ylmethylamino)methyl]-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide.
What is the SMILES notation for N-methyl-5-[(oxolan-2-ylmethylamino)methyl]-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The canonical SMILES for N-methyl-5-[(oxolan-2-ylmethylamino)methyl]-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide is CN(CCc1ccccc1)C(=O)c1nc2sccn2c1CNCC1CCCO1.
What is the InChIKey of N-methyl-5-[(oxolan-2-ylmethylamino)methyl]-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The InChIKey is MNKFHWVEKYXYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2S/c1-24(10-9-16-6-3-2-4-7-16)20(26)19-18(25-11-13-28-21(25)23-19)15-22-14-17-8-5-12-27-17/h2-4,6-7,11,13,17,22H,5,8-10,12,14-15H2,1H3.
What are the key properties of N-methyl-5-[(oxolan-2-ylmethylamino)methyl]-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
N-methyl-5-[(oxolan-2-ylmethylamino)methyl]-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide has a molecular weight of 398.53 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[(oxolan-2-ylmethylamino)methyl]-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide is sourced from PubChem (CID 45231682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).