[6-(4-tert-butylphenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine

C16H19N3S2 — CID 63807450

IUPAC[6-(4-tert-butylphenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
SMILESCC(C)(C)c1ccc(Sc2nc3sccn3c2CN)cc1
InChIInChI=1S/C16H19N3S2/c1-16(2,3)11-4-6-12(7-5-11)21-14-13(10-17)19-8-9-20-15(19)18-14/h4-9H,10,17H2,1-3H3
InChIKeyWWAUQNYGVCFAMJ-UHFFFAOYSA-N
MW317.48 g/mol
LogP4.30
Rot. Bonds3

About [6-(4-tert-butylphenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine

[6-(4-tert-butylphenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine (PubChem CID 63807450) has the molecular formula C16H19N3S2 and a molecular weight of 317.48 g/mol. Its IUPAC name is [6-(4-tert-butylphenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[6-(4-tert-butylphenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
PubChem CID63807450
Molecular FormulaC16H19N3S2
Molecular Weight317.48 g/mol
Exact Mass317.10
IUPAC Name[6-(4-tert-butylphenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
SMILESCC(C)(C)c1ccc(Sc2nc3sccn3c2CN)cc1
InChIInChI=1S/C16H19N3S2/c1-16(2,3)11-4-6-12(7-5-11)21-14-13(10-17)19-8-9-20-15(19)18-14/h4-9H,10,17H2,1-3H3
InChIKeyWWAUQNYGVCFAMJ-UHFFFAOYSA-N
XLogP4.30
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 55238469
2-[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 55238545
[6-(2-methylphenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 63809988
[6-(2,5-dimethylphenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 63806552
(6-propylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine
CID 39194776
[6-(3-methoxypropylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 63855809
N-methyl-1-[6-(4-nitrophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 63808703
(6-tert-butylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methanol
CID 63813355
N-[(6-phenylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
CID 63804515
(6-ethylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine
CID 82503893
2-methyl-N-[(6-thiophen-2-ylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-2-amine
CID 63804994
2-amino-3-[6-[3-(trifluoromethyl)phenyl]sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]propan-1-ol
CID 170892185

Frequently Asked Questions

What is the IUPAC name of [6-(4-tert-butylphenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
The IUPAC name of [6-(4-tert-butylphenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine (CID 63807450) is [6-(4-tert-butylphenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine.
What is the SMILES notation for [6-(4-tert-butylphenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
The canonical SMILES for [6-(4-tert-butylphenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine is CC(C)(C)c1ccc(Sc2nc3sccn3c2CN)cc1.
What is the InChIKey of [6-(4-tert-butylphenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
The InChIKey is WWAUQNYGVCFAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S2/c1-16(2,3)11-4-6-12(7-5-11)21-14-13(10-17)19-8-9-20-15(19)18-14/h4-9H,10,17H2,1-3H3.
What are the key properties of [6-(4-tert-butylphenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
[6-(4-tert-butylphenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine has a molecular weight of 317.48 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-tert-butylphenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine is sourced from PubChem (CID 63807450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).