N-tert-butyl-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide

C18H21N3O2S — CID 5158449

IUPACN-tert-butyl-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCOc1ccc(-c2cn3c(C)c(C(=O)NC(C)(C)C)sc3n2)cc1
InChIInChI=1S/C18H21N3O2S/c1-11-15(16(22)20-18(2,3)4)24-17-19-14(10-21(11)17)12-6-8-13(23-5)9-7-12/h6-10H,1-5H3,(H,20,22)
InChIKeyGQECSROWDXBEEM-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.91
Rot. Bonds3

About N-tert-butyl-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide

N-tert-butyl-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide (PubChem CID 5158449) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-tert-butyl-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
PubChem CID5158449
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN-tert-butyl-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCOc1ccc(-c2cn3c(C)c(C(=O)NC(C)(C)C)sc3n2)cc1
InChIInChI=1S/C18H21N3O2S/c1-11-15(16(22)20-18(2,3)4)24-17-19-14(10-21(11)17)12-6-8-13(23-5)9-7-12/h6-10H,1-5H3,(H,20,22)
InChIKeyGQECSROWDXBEEM-UHFFFAOYSA-N
XLogP3.91
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.91
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-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The IUPAC name of N-tert-butyl-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide (CID 5158449) is N-tert-butyl-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide.
What is the SMILES notation for N-tert-butyl-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The canonical SMILES for N-tert-butyl-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide is COc1ccc(-c2cn3c(C)c(C(=O)NC(C)(C)C)sc3n2)cc1.
What is the InChIKey of N-tert-butyl-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The InChIKey is GQECSROWDXBEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-11-15(16(22)20-18(2,3)4)24-17-19-14(10-21(11)17)12-6-8-13(23-5)9-7-12/h6-10H,1-5H3,(H,20,22).
What are the key properties of N-tert-butyl-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
N-tert-butyl-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide has a molecular weight of 343.45 g/mol, XLogP of 3.91, 3 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-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide is sourced from PubChem (CID 5158449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).