N-[(2S)-1-(dimethylamino)butan-2-yl]-6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

C18H21FN4OS — CID 95230924

IUPACN-[(2S)-1-(dimethylamino)butan-2-yl]-6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCC[C@@H](CN(C)C)NC(=O)c1csc2nc(-c3cccc(F)c3)cn12
InChIInChI=1S/C18H21FN4OS/c1-4-14(9-22(2)3)20-17(24)16-11-25-18-21-15(10-23(16)18)12-6-5-7-13(19)8-12/h5-8,10-11,14H,4,9H2,1-3H3,(H,20,24)/t14-/m0/s1
InChIKeyXCHKXRBNFCBBFN-AWEZNQCLSA-N
MW360.46 g/mol
LogP3.27
Rot. Bonds6

About N-[(2S)-1-(dimethylamino)butan-2-yl]-6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

N-[(2S)-1-(dimethylamino)butan-2-yl]-6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 95230924) has the molecular formula C18H21FN4OS and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[(2S)-1-(dimethylamino)butan-2-yl]-6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(dimethylamino)butan-2-yl]-6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID95230924
Molecular FormulaC18H21FN4OS
Molecular Weight360.46 g/mol
Exact Mass360.14
IUPAC NameN-[(2S)-1-(dimethylamino)butan-2-yl]-6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCC[C@@H](CN(C)C)NC(=O)c1csc2nc(-c3cccc(F)c3)cn12
InChIInChI=1S/C18H21FN4OS/c1-4-14(9-22(2)3)20-17(24)16-11-25-18-21-15(10-23(16)18)12-6-5-7-13(19)8-12/h5-8,10-11,14H,4,9H2,1-3H3,(H,20,24)/t14-/m0/s1
InChIKeyXCHKXRBNFCBBFN-AWEZNQCLSA-N
XLogP3.27
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-fluorophenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42595571
N-(3-fluorophenyl)-6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270856
6-(3-fluorophenyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42596781
6-(4-chlorophenyl)-N-[(2S)-1-methoxybutan-2-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42290409
6-phenyl-N-[(1R)-1-phenylethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271579
methyl (2S)-2-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]-3-phenylpropanoate
CID 42457098
N-[1-(dimethylamino)propan-2-yl]-6-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 56740348
N-cyclopropyl-6-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 56704737
N-(3-fluorophenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271126
N-butan-2-yl-6-(2-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 45217078
N-[(2S)-butan-2-yl]-1-ethyl-3-(3-fluorophenyl)pyrazole-5-carboxamide
CID 93014221
6-(3-methoxyphenyl)-N-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270822

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(dimethylamino)butan-2-yl]-6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of N-[(2S)-1-(dimethylamino)butan-2-yl]-6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide (CID 95230924) is N-[(2S)-1-(dimethylamino)butan-2-yl]-6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-(dimethylamino)butan-2-yl]-6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for N-[(2S)-1-(dimethylamino)butan-2-yl]-6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide is CC[C@@H](CN(C)C)NC(=O)c1csc2nc(-c3cccc(F)c3)cn12.
What is the InChIKey of N-[(2S)-1-(dimethylamino)butan-2-yl]-6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is XCHKXRBNFCBBFN-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H21FN4OS/c1-4-14(9-22(2)3)20-17(24)16-11-25-18-21-15(10-23(16)18)12-6-5-7-13(19)8-12/h5-8,10-11,14H,4,9H2,1-3H3,(H,20,24)/t14-/m0/s1.
What are the key properties of N-[(2S)-1-(dimethylamino)butan-2-yl]-6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
N-[(2S)-1-(dimethylamino)butan-2-yl]-6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(dimethylamino)butan-2-yl]-6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 95230924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).