6-methyl-N-[1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide

C20H21N5OS — CID 45195420

IUPAC6-methyl-N-[1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1ccccc1-n1ncc(C(C)NC(=O)c2c(C)nc3sccn23)c1C
InChIInChI=1S/C20H21N5OS/c1-12-7-5-6-8-17(12)25-15(4)16(11-21-25)13(2)22-19(26)18-14(3)23-20-24(18)9-10-27-20/h5-11,13H,1-4H3,(H,22,26)
InChIKeyLAOUDAPCNGKUFE-UHFFFAOYSA-N
MW379.49 g/mol
LogP4.00
Rot. Bonds4

About 6-methyl-N-[1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide

6-methyl-N-[1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 45195420) has the molecular formula C20H21N5OS and a molecular weight of 379.49 g/mol. Its IUPAC name is 6-methyl-N-[1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID45195420
Molecular FormulaC20H21N5OS
Molecular Weight379.49 g/mol
Exact Mass379.15
IUPAC Name6-methyl-N-[1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1ccccc1-n1ncc(C(C)NC(=O)c2c(C)nc3sccn23)c1C
InChIInChI=1S/C20H21N5OS/c1-12-7-5-6-8-17(12)25-15(4)16(11-21-25)13(2)22-19(26)18-14(3)23-20-24(18)9-10-27-20/h5-11,13H,1-4H3,(H,22,26)
InChIKeyLAOUDAPCNGKUFE-UHFFFAOYSA-N
XLogP4.00
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethylcarbamoyl]benzoate
CID 45222272
2-methyl-N-[(1R)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 97148874
1,3-dimethyl-N-[1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2,6-dioxopyrimidine-4-carboxamide
CID 45223694
2-methoxy-N-[(1R)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]pyrimidine-5-carboxamide
CID 97153776
N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-methylsulfanylacetamide
CID 26332266
1-ethyl-N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 42591847
1-ethyl-N-[1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 45191349
ethyl 2-[[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]carbamoylamino]acetate
CID 42194625
N-[(1R)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 25279162
methyl (2S)-2-[(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)amino]propanoate
CID 101023044
1-(2-fluorophenyl)-3-[(1R)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]urea
CID 42558008
N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-pyridin-3-ylacetamide
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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of 6-methyl-N-[1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 45195420) is 6-methyl-N-[1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 6-methyl-N-[1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for 6-methyl-N-[1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide is Cc1ccccc1-n1ncc(C(C)NC(=O)c2c(C)nc3sccn23)c1C.
What is the InChIKey of 6-methyl-N-[1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is LAOUDAPCNGKUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5OS/c1-12-7-5-6-8-17(12)25-15(4)16(11-21-25)13(2)22-19(26)18-14(3)23-20-24(18)9-10-27-20/h5-11,13H,1-4H3,(H,22,26).
What are the key properties of 6-methyl-N-[1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
6-methyl-N-[1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 379.49 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 45195420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).