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

C20H24N4O2S — CID 28665933

IUPACN-methyl-5-[[[(3S)-oxolan-3-yl]amino]methyl]-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCN(CCc1ccccc1)C(=O)c1nc2sccn2c1CN[C@H]1CCOC1
InChIInChI=1S/C20H24N4O2S/c1-23(9-7-15-5-3-2-4-6-15)19(25)18-17(13-21-16-8-11-26-14-16)24-10-12-27-20(24)22-18/h2-6,10,12,16,21H,7-9,11,13-14H2,1H3/t16-/m0/s1
InChIKeyHNJWANYCJATMBX-INIZCTEOSA-N
MW384.51 g/mol
LogP2.59
Rot. Bonds7

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

N-methyl-5-[[[(3S)-oxolan-3-yl]amino]methyl]-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide (PubChem CID 28665933) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is N-methyl-5-[[[(3S)-oxolan-3-yl]amino]methyl]-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[[[(3S)-oxolan-3-yl]amino]methyl]-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
PubChem CID28665933
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC NameN-methyl-5-[[[(3S)-oxolan-3-yl]amino]methyl]-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCN(CCc1ccccc1)C(=O)c1nc2sccn2c1CN[C@H]1CCOC1
InChIInChI=1S/C20H24N4O2S/c1-23(9-7-15-5-3-2-4-6-15)19(25)18-17(13-21-16-8-11-26-14-16)24-10-12-27-20(24)22-18/h2-6,10,12,16,21H,7-9,11,13-14H2,1H3/t16-/m0/s1
InChIKeyHNJWANYCJATMBX-INIZCTEOSA-N
XLogP2.59
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-5-[(oxolan-2-ylmethylamino)methyl]-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 45231682
N-methyl-5-(morpholin-4-ylmethyl)-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 56869710
5-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-N-methyl-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 56880789
5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-N-methyl-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 56863269
N-methyl-5-[[methyl(oxan-2-ylmethyl)amino]methyl]-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 45246149
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-methyl-5-[[(1-methylimidazol-2-yl)methyl-propan-2-ylamino]methyl]-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 45242762
N'-[5-[(cyclopropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 63700235
2-cyclobutyl-N,5-dimethyl-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide
CID 53195326
1-benzyl-1-methyl-3-(oxolan-3-yl)urea
CID 115759352
3-[[2-hydroxyethyl(methyl)amino]methyl]-N,8-dimethyl-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 56918888
N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 43786812

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[[[(3S)-oxolan-3-yl]amino]methyl]-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The IUPAC name of N-methyl-5-[[[(3S)-oxolan-3-yl]amino]methyl]-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide (CID 28665933) is N-methyl-5-[[[(3S)-oxolan-3-yl]amino]methyl]-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide.
What is the SMILES notation for N-methyl-5-[[[(3S)-oxolan-3-yl]amino]methyl]-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The canonical SMILES for N-methyl-5-[[[(3S)-oxolan-3-yl]amino]methyl]-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide is CN(CCc1ccccc1)C(=O)c1nc2sccn2c1CN[C@H]1CCOC1.
What is the InChIKey of N-methyl-5-[[[(3S)-oxolan-3-yl]amino]methyl]-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The InChIKey is HNJWANYCJATMBX-INIZCTEOSA-N. The full InChI is InChI=1S/C20H24N4O2S/c1-23(9-7-15-5-3-2-4-6-15)19(25)18-17(13-21-16-8-11-26-14-16)24-10-12-27-20(24)22-18/h2-6,10,12,16,21H,7-9,11,13-14H2,1H3/t16-/m0/s1.
What are the key properties of N-methyl-5-[[[(3S)-oxolan-3-yl]amino]methyl]-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
N-methyl-5-[[[(3S)-oxolan-3-yl]amino]methyl]-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide has a molecular weight of 384.51 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[[[(3S)-oxolan-3-yl]amino]methyl]-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide is sourced from PubChem (CID 28665933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).