[6-[1-(3-chlorophenyl)ethyl-methylamino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol

C15H16ClN3OS — CID 62979731

IUPAC[6-[1-(3-chlorophenyl)ethyl-methylamino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol
SMILESCC(c1cccc(Cl)c1)N(C)c1nc2sccn2c1CO
InChIInChI=1S/C15H16ClN3OS/c1-10(11-4-3-5-12(16)8-11)18(2)14-13(9-20)19-6-7-21-15(19)17-14/h3-8,10,20H,9H2,1-2H3
InChIKeyMBJNMNVUIPRBRG-UHFFFAOYSA-N
MW321.83 g/mol
LogP3.74
Rot. Bonds4

About [6-[1-(3-chlorophenyl)ethyl-methylamino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol

[6-[1-(3-chlorophenyl)ethyl-methylamino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol (PubChem CID 62979731) has the molecular formula C15H16ClN3OS and a molecular weight of 321.83 g/mol. Its IUPAC name is [6-[1-(3-chlorophenyl)ethyl-methylamino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol.

Molecular Properties

Compound Name[6-[1-(3-chlorophenyl)ethyl-methylamino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol
PubChem CID62979731
Molecular FormulaC15H16ClN3OS
Molecular Weight321.83 g/mol
Exact Mass321.07
IUPAC Name[6-[1-(3-chlorophenyl)ethyl-methylamino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol
SMILESCC(c1cccc(Cl)c1)N(C)c1nc2sccn2c1CO
InChIInChI=1S/C15H16ClN3OS/c1-10(11-4-3-5-12(16)8-11)18(2)14-13(9-20)19-6-7-21-15(19)17-14/h3-8,10,20H,9H2,1-2H3
InChIKeyMBJNMNVUIPRBRG-UHFFFAOYSA-N
XLogP3.74
TPSA40.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-methylamino]propan-1-ol
CID 104552635
[6-[methyl(2-methylbutyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 43476005
[6-[methyl(3-methylbutyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 61428785
N-[(3-chlorophenyl)methyl]-N-methyl-5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 61416879
5-(bromomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
CID 107083113
[6-(2,4-dichlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 46224395
[6-[methyl(pyridin-3-ylmethyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 43563571
N-butan-2-yl-5-(ethylaminomethyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
CID 43476483
4-chloro-5-(chloromethyl)-N-[1-(3-chlorophenyl)ethyl]-N-methyl-1,3-thiazol-2-amine
CID 80688239
5-amino-6-[1-(3-chlorophenyl)ethyl-methylamino]pyridine-2-carboxamide
CID 114406497
2-[ethyl-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]amino]-N,N-dimethylacetamide
CID 61449141
3-N-[1-(3-chlorophenyl)ethyl]-3-N,1-dimethylpyrazole-3,4-diamine
CID 103078461

Frequently Asked Questions

What is the IUPAC name of [6-[1-(3-chlorophenyl)ethyl-methylamino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol?
The IUPAC name of [6-[1-(3-chlorophenyl)ethyl-methylamino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol (CID 62979731) is [6-[1-(3-chlorophenyl)ethyl-methylamino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol.
What is the SMILES notation for [6-[1-(3-chlorophenyl)ethyl-methylamino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol?
The canonical SMILES for [6-[1-(3-chlorophenyl)ethyl-methylamino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol is CC(c1cccc(Cl)c1)N(C)c1nc2sccn2c1CO.
What is the InChIKey of [6-[1-(3-chlorophenyl)ethyl-methylamino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol?
The InChIKey is MBJNMNVUIPRBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3OS/c1-10(11-4-3-5-12(16)8-11)18(2)14-13(9-20)19-6-7-21-15(19)17-14/h3-8,10,20H,9H2,1-2H3.
What are the key properties of [6-[1-(3-chlorophenyl)ethyl-methylamino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol?
[6-[1-(3-chlorophenyl)ethyl-methylamino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol has a molecular weight of 321.83 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[1-(3-chlorophenyl)ethyl-methylamino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol is sourced from PubChem (CID 62979731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).