1-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-3-phenylpentan-2-amine

C17H21N3S — CID 105023549

IUPAC1-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-3-phenylpentan-2-amine
SMILESCCC(c1ccccc1)C(Cc1cn2ccsc2n1)NC
InChIInChI=1S/C17H21N3S/c1-3-15(13-7-5-4-6-8-13)16(18-2)11-14-12-20-9-10-21-17(20)19-14/h4-10,12,15-16,18H,3,11H2,1-2H3
InChIKeyNBGVMJQOYCWCQG-UHFFFAOYSA-N
MW299.44 g/mol
LogP3.72
Rot. Bonds6

About 1-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-3-phenylpentan-2-amine

1-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-3-phenylpentan-2-amine (PubChem CID 105023549) has the molecular formula C17H21N3S and a molecular weight of 299.44 g/mol. Its IUPAC name is 1-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-3-phenylpentan-2-amine.

Molecular Properties

Compound Name1-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-3-phenylpentan-2-amine
PubChem CID105023549
Molecular FormulaC17H21N3S
Molecular Weight299.44 g/mol
Exact Mass299.15
IUPAC Name1-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-3-phenylpentan-2-amine
SMILESCCC(c1ccccc1)C(Cc1cn2ccsc2n1)NC
InChIInChI=1S/C17H21N3S/c1-3-15(13-7-5-4-6-8-13)16(18-2)11-14-12-20-9-10-21-17(20)19-14/h4-10,12,15-16,18H,3,11H2,1-2H3
InChIKeyNBGVMJQOYCWCQG-UHFFFAOYSA-N
XLogP3.72
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-imidazo[2,1-b][1,3]thiazol-6-yl-1-phenylethyl)propan-1-amine
CID 115333467
3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N-methylpentan-2-amine
CID 115332363
1-(2-chlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine
CID 115333568
1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-3-yl]-N-methylbutan-1-amine
CID 115332701
1-(2-bromophenyl)-3-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylpropan-2-amine
CID 115333611
1-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]-N-methylethanamine
CID 115331313
(3-ethyl-1-imidazo[2,1-b][1,3]thiazol-6-ylheptan-2-yl)hydrazine
CID 105328737
1-(2,6-difluorophenyl)-3-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylpropan-2-amine
CID 105023533
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide
CID 110949083
3-imidazo[2,1-b][1,3]thiazol-6-yl-1-N,1-N,2-N-trimethylpropane-1,2-diamine
CID 115333859
6-(3-chloro-3-phenylpropyl)imidazo[2,1-b][1,3]thiazole
CID 113289290
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pentan-3-amine
CID 78925544

Frequently Asked Questions

What is the IUPAC name of 1-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-3-phenylpentan-2-amine?
The IUPAC name of 1-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-3-phenylpentan-2-amine (CID 105023549) is 1-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-3-phenylpentan-2-amine.
What is the SMILES notation for 1-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-3-phenylpentan-2-amine?
The canonical SMILES for 1-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-3-phenylpentan-2-amine is CCC(c1ccccc1)C(Cc1cn2ccsc2n1)NC.
What is the InChIKey of 1-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-3-phenylpentan-2-amine?
The InChIKey is NBGVMJQOYCWCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3S/c1-3-15(13-7-5-4-6-8-13)16(18-2)11-14-12-20-9-10-21-17(20)19-14/h4-10,12,15-16,18H,3,11H2,1-2H3.
What are the key properties of 1-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-3-phenylpentan-2-amine?
1-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-3-phenylpentan-2-amine has a molecular weight of 299.44 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-3-phenylpentan-2-amine is sourced from PubChem (CID 105023549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).