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

C18H21N3O2S — CID 42270495

IUPACN-butyl-6-(4-methoxyphenyl)-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCCCCN(C)C(=O)c1csc2nc(-c3ccc(OC)cc3)cn12
InChIInChI=1S/C18H21N3O2S/c1-4-5-10-20(2)17(22)16-12-24-18-19-15(11-21(16)18)13-6-8-14(23-3)9-7-13/h6-9,11-12H,4-5,10H2,1-3H3
InChIKeySQPQJCLMQSYUIV-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.94
Rot. Bonds6

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

N-butyl-6-(4-methoxyphenyl)-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 42270495) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-butyl-6-(4-methoxyphenyl)-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound NameN-butyl-6-(4-methoxyphenyl)-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID42270495
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN-butyl-6-(4-methoxyphenyl)-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCCCCN(C)C(=O)c1csc2nc(-c3ccc(OC)cc3)cn12
InChIInChI=1S/C18H21N3O2S/c1-4-5-10-20(2)17(22)16-12-24-18-19-15(11-21(16)18)13-6-8-14(23-3)9-7-13/h6-9,11-12H,4-5,10H2,1-3H3
InChIKeySQPQJCLMQSYUIV-UHFFFAOYSA-N
XLogP3.94
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-N-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271001
N-ethyl-6-(4-methoxyphenyl)-N-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270700
6-[4-[(4-methoxybenzoyl)amino]phenyl]-N,N-dimethylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 46396472
N-benzyl-6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270548
6-(2-methoxyphenyl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42290388
N-[(4-methoxyphenyl)methyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271395
N-[3-(diethylamino)propyl]-2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 40509101
[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 42270017
6-(3-fluorophenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42595571
N-(furan-2-ylmethyl)-6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270020
N-[3-(dimethylamino)propyl]-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271640
6-(4-chlorophenyl)-N-methyl-N-(pyrimidin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42511039

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-(4-methoxyphenyl)-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of N-butyl-6-(4-methoxyphenyl)-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide (CID 42270495) is N-butyl-6-(4-methoxyphenyl)-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for N-butyl-6-(4-methoxyphenyl)-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for N-butyl-6-(4-methoxyphenyl)-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide is CCCCN(C)C(=O)c1csc2nc(-c3ccc(OC)cc3)cn12.
What is the InChIKey of N-butyl-6-(4-methoxyphenyl)-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is SQPQJCLMQSYUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-4-5-10-20(2)17(22)16-12-24-18-19-15(11-21(16)18)13-6-8-14(23-3)9-7-13/h6-9,11-12H,4-5,10H2,1-3H3.
What are the key properties of N-butyl-6-(4-methoxyphenyl)-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide?
N-butyl-6-(4-methoxyphenyl)-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 343.45 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-(4-methoxyphenyl)-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 42270495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).