N-tert-butyl-6-(4-methoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine

C22H23N3OS — CID 118715020

IUPACN-tert-butyl-6-(4-methoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine
SMILESCOc1ccc(-c2nc3scc(-c4ccccc4)n3c2NC(C)(C)C)cc1
InChIInChI=1S/C22H23N3OS/c1-22(2,3)24-20-19(16-10-12-17(26-4)13-11-16)23-21-25(20)18(14-27-21)15-8-6-5-7-9-15/h5-14,24H,1-4H3
InChIKeyJUJQNTHMHRCRRK-UHFFFAOYSA-N
MW377.51 g/mol
LogP5.95
Rot. Bonds4

About N-tert-butyl-6-(4-methoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine

N-tert-butyl-6-(4-methoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine (PubChem CID 118715020) has the molecular formula C22H23N3OS and a molecular weight of 377.51 g/mol. Its IUPAC name is N-tert-butyl-6-(4-methoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine.

Molecular Properties

Compound NameN-tert-butyl-6-(4-methoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine
PubChem CID118715020
Molecular FormulaC22H23N3OS
Molecular Weight377.51 g/mol
Exact Mass377.16
IUPAC NameN-tert-butyl-6-(4-methoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine
SMILESCOc1ccc(-c2nc3scc(-c4ccccc4)n3c2NC(C)(C)C)cc1
InChIInChI=1S/C22H23N3OS/c1-22(2,3)24-20-19(16-10-12-17(26-4)13-11-16)23-21-25(20)18(14-27-21)15-8-6-5-7-9-15/h5-14,24H,1-4H3
InChIKeyJUJQNTHMHRCRRK-UHFFFAOYSA-N
XLogP5.95
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.51
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-(4-methoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine?
The IUPAC name of N-tert-butyl-6-(4-methoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine (CID 118715020) is N-tert-butyl-6-(4-methoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine.
What is the SMILES notation for N-tert-butyl-6-(4-methoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine?
The canonical SMILES for N-tert-butyl-6-(4-methoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine is COc1ccc(-c2nc3scc(-c4ccccc4)n3c2NC(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-6-(4-methoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine?
The InChIKey is JUJQNTHMHRCRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3OS/c1-22(2,3)24-20-19(16-10-12-17(26-4)13-11-16)23-21-25(20)18(14-27-21)15-8-6-5-7-9-15/h5-14,24H,1-4H3.
What are the key properties of N-tert-butyl-6-(4-methoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine?
N-tert-butyl-6-(4-methoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine has a molecular weight of 377.51 g/mol, XLogP of 5.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-(4-methoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine is sourced from PubChem (CID 118715020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).