6-(4-butylphenyl)imidazo[2,1-b][1,3]thiazol-3-amine

C15H17N3S — CID 96668145

IUPAC6-(4-butylphenyl)imidazo[2,1-b][1,3]thiazol-3-amine
SMILESCCCCc1ccc(-c2cn3c(N)csc3n2)cc1
InChIInChI=1S/C15H17N3S/c1-2-3-4-11-5-7-12(8-6-11)13-9-18-14(16)10-19-15(18)17-13/h5-10H,2-4,16H2,1H3
InChIKeyHCJUMSPYEAUHDZ-UHFFFAOYSA-N
MW271.39 g/mol
LogP3.99
Rot. Bonds4

About 6-(4-butylphenyl)imidazo[2,1-b][1,3]thiazol-3-amine

6-(4-butylphenyl)imidazo[2,1-b][1,3]thiazol-3-amine (PubChem CID 96668145) has the molecular formula C15H17N3S and a molecular weight of 271.39 g/mol. Its IUPAC name is 6-(4-butylphenyl)imidazo[2,1-b][1,3]thiazol-3-amine.

Molecular Properties

Compound Name6-(4-butylphenyl)imidazo[2,1-b][1,3]thiazol-3-amine
PubChem CID96668145
Molecular FormulaC15H17N3S
Molecular Weight271.39 g/mol
Exact Mass271.11
IUPAC Name6-(4-butylphenyl)imidazo[2,1-b][1,3]thiazol-3-amine
SMILESCCCCc1ccc(-c2cn3c(N)csc3n2)cc1
InChIInChI=1S/C15H17N3S/c1-2-3-4-11-5-7-12(8-6-11)13-9-18-14(16)10-19-15(18)17-13/h5-10H,2-4,16H2,1H3
InChIKeyHCJUMSPYEAUHDZ-UHFFFAOYSA-N
XLogP3.99
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-amine
CID 82489917
6-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazol-3-amine
CID 82483141
6-(3-chloro-4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-amine
CID 82487440
6-(4-heptylphenyl)-2-octylimidazo[2,1-b][1,3]thiazole
CID 70109807
[4-(4-butylphenyl)-1,3-thiazol-2-yl]hydrazine
CID 93188542
6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-amine
CID 82479019
6-butyl-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole
CID 3968689
2-(4-butoxyphenyl)-6-butylimidazo[2,1-b][1,3]benzothiazole
CID 19209873
4-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]aniline
CID 39079843
4-(4-butylphenyl)-1-methylimidazole
CID 82078465
2-[4-(4-butylphenyl)-1,3-thiazol-2-yl]acetonitrile
CID 95464853
3-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 82478196

Frequently Asked Questions

What is the IUPAC name of 6-(4-butylphenyl)imidazo[2,1-b][1,3]thiazol-3-amine?
The IUPAC name of 6-(4-butylphenyl)imidazo[2,1-b][1,3]thiazol-3-amine (CID 96668145) is 6-(4-butylphenyl)imidazo[2,1-b][1,3]thiazol-3-amine.
What is the SMILES notation for 6-(4-butylphenyl)imidazo[2,1-b][1,3]thiazol-3-amine?
The canonical SMILES for 6-(4-butylphenyl)imidazo[2,1-b][1,3]thiazol-3-amine is CCCCc1ccc(-c2cn3c(N)csc3n2)cc1.
What is the InChIKey of 6-(4-butylphenyl)imidazo[2,1-b][1,3]thiazol-3-amine?
The InChIKey is HCJUMSPYEAUHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3S/c1-2-3-4-11-5-7-12(8-6-11)13-9-18-14(16)10-19-15(18)17-13/h5-10H,2-4,16H2,1H3.
What are the key properties of 6-(4-butylphenyl)imidazo[2,1-b][1,3]thiazol-3-amine?
6-(4-butylphenyl)imidazo[2,1-b][1,3]thiazol-3-amine has a molecular weight of 271.39 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-butylphenyl)imidazo[2,1-b][1,3]thiazol-3-amine is sourced from PubChem (CID 96668145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).