6-(4-ethylphenyl)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide

C20H21N5OS — CID 42290172

IUPAC6-(4-ethylphenyl)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCCc1ccc(-c2cn3c(C(=O)N[C@@H](C)c4cnn(C)c4)csc3n2)cc1
InChIInChI=1S/C20H21N5OS/c1-4-14-5-7-15(8-6-14)17-11-25-18(12-27-20(25)23-17)19(26)22-13(2)16-9-21-24(3)10-16/h5-13H,4H2,1-3H3,(H,22,26)/t13-/m0/s1
InChIKeyIJBUMGRNTBUDBW-ZDUSSCGKSA-N
MW379.49 g/mol
LogP3.85
Rot. Bonds5

About 6-(4-ethylphenyl)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide

6-(4-ethylphenyl)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 42290172) has the molecular formula C20H21N5OS and a molecular weight of 379.49 g/mol. Its IUPAC name is 6-(4-ethylphenyl)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound Name6-(4-ethylphenyl)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID42290172
Molecular FormulaC20H21N5OS
Molecular Weight379.49 g/mol
Exact Mass379.15
IUPAC Name6-(4-ethylphenyl)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCCc1ccc(-c2cn3c(C(=O)N[C@@H](C)c4cnn(C)c4)csc3n2)cc1
InChIInChI=1S/C20H21N5OS/c1-4-14-5-7-15(8-6-14)17-11-25-18(12-27-20(25)23-17)19(26)22-13(2)16-9-21-24(3)10-16/h5-13H,4H2,1-3H3,(H,22,26)/t13-/m0/s1
InChIKeyIJBUMGRNTBUDBW-ZDUSSCGKSA-N
XLogP3.85
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-phenyl-N-[(1R)-1-phenylethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271579
N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-6-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 95228911
N-[(1,1-dioxothiolan-3-yl)methyl]-6-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 45207905
6-(4-chlorophenyl)-N-[(2S)-1-methoxybutan-2-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42290409
6-(4-ethylphenyl)-N-methyl-N-(oxan-4-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42519951
N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 95188658
N-[1-(1-methylpyrazol-4-yl)ethyl]thiophene-2-carboxamide
CID 45147147
N-[(2S)-1-(dimethylamino)butan-2-yl]-6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 95230924
2-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 110470530
methyl (2S)-2-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]-3-phenylpropanoate
CID 42457098
1-[1-(4-ethylphenyl)ethyl]-3-(1-methylpyrazol-4-yl)urea
CID 86987830
3-[[(1S)-1-(4-ethylphenyl)ethyl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 51853849

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylphenyl)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of 6-(4-ethylphenyl)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide (CID 42290172) is 6-(4-ethylphenyl)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for 6-(4-ethylphenyl)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for 6-(4-ethylphenyl)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide is CCc1ccc(-c2cn3c(C(=O)N[C@@H](C)c4cnn(C)c4)csc3n2)cc1.
What is the InChIKey of 6-(4-ethylphenyl)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is IJBUMGRNTBUDBW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H21N5OS/c1-4-14-5-7-15(8-6-14)17-11-25-18(12-27-20(25)23-17)19(26)22-13(2)16-9-21-24(3)10-16/h5-13H,4H2,1-3H3,(H,22,26)/t13-/m0/s1.
What are the key properties of 6-(4-ethylphenyl)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
6-(4-ethylphenyl)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 379.49 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylphenyl)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 42290172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).