3-methyl-N-[4-[2-(methylamino)ethyl]phenyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide

C16H18N4OS — CID 166326490

IUPAC3-methyl-N-[4-[2-(methylamino)ethyl]phenyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCNCCc1ccc(NC(=O)c2sc3nccn3c2C)cc1
InChIInChI=1S/C16H18N4OS/c1-11-14(22-16-18-9-10-20(11)16)15(21)19-13-5-3-12(4-6-13)7-8-17-2/h3-6,9-10,17H,7-8H2,1-2H3,(H,19,21)
InChIKeyCJRKDDNEDQUMHZ-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.72
Rot. Bonds5

About 3-methyl-N-[4-[2-(methylamino)ethyl]phenyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide

3-methyl-N-[4-[2-(methylamino)ethyl]phenyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide (PubChem CID 166326490) has the molecular formula C16H18N4OS and a molecular weight of 314.41 g/mol. Its IUPAC name is 3-methyl-N-[4-[2-(methylamino)ethyl]phenyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[4-[2-(methylamino)ethyl]phenyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide
PubChem CID166326490
Molecular FormulaC16H18N4OS
Molecular Weight314.41 g/mol
Exact Mass314.12
IUPAC Name3-methyl-N-[4-[2-(methylamino)ethyl]phenyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCNCCc1ccc(NC(=O)c2sc3nccn3c2C)cc1
InChIInChI=1S/C16H18N4OS/c1-11-14(22-16-18-9-10-20(11)16)15(21)19-13-5-3-12(4-6-13)7-8-17-2/h3-6,9-10,17H,7-8H2,1-2H3,(H,19,21)
InChIKeyCJRKDDNEDQUMHZ-UHFFFAOYSA-N
XLogP2.72
TPSA58.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide;hydrochloride
CID 21152450
N-(4-ethoxyphenyl)-4-methyl-2-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
CID 110389468
4-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 71938362
3-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 166245430
2-amino-N-[4-(2-hydroxyethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55116150
N-(4-butylphenyl)-3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 41349014
N-(4-acetamidophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 110861523
2-(4-ethylphenyl)-4-methyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-1,3-thiazole-5-carboxamide
CID 24671584
N-(4-ethoxyphenyl)-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 53134325
5-(aminomethyl)-3-methyl-N-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 39196228
N-[4-(2-hydroxyethyl)phenyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 110902207
N-(4-ethoxyphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109192445

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-[2-(methylamino)ethyl]phenyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide?
The IUPAC name of 3-methyl-N-[4-[2-(methylamino)ethyl]phenyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide (CID 166326490) is 3-methyl-N-[4-[2-(methylamino)ethyl]phenyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[4-[2-(methylamino)ethyl]phenyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide?
The canonical SMILES for 3-methyl-N-[4-[2-(methylamino)ethyl]phenyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide is CNCCc1ccc(NC(=O)c2sc3nccn3c2C)cc1.
What is the InChIKey of 3-methyl-N-[4-[2-(methylamino)ethyl]phenyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide?
The InChIKey is CJRKDDNEDQUMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4OS/c1-11-14(22-16-18-9-10-20(11)16)15(21)19-13-5-3-12(4-6-13)7-8-17-2/h3-6,9-10,17H,7-8H2,1-2H3,(H,19,21).
What are the key properties of 3-methyl-N-[4-[2-(methylamino)ethyl]phenyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide?
3-methyl-N-[4-[2-(methylamino)ethyl]phenyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide has a molecular weight of 314.41 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-[2-(methylamino)ethyl]phenyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide is sourced from PubChem (CID 166326490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).