2-methyl-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]-4-phenyl-1,3-thiazole-5-carboxamide

C19H21N5O2S — CID 9153234

IUPAC2-methyl-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]-4-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)c(C(=O)NCC(=O)Nc2c(C)nn(C)c2C)s1
InChIInChI=1S/C19H21N5O2S/c1-11-16(12(2)24(4)23-11)22-15(25)10-20-19(26)18-17(21-13(3)27-18)14-8-6-5-7-9-14/h5-9H,10H2,1-4H3,(H,20,26)(H,22,25)
InChIKeyGSMNQGIXQHPFSJ-UHFFFAOYSA-N
MW383.48 g/mol
LogP2.84
Rot. Bonds5

About 2-methyl-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]-4-phenyl-1,3-thiazole-5-carboxamide

2-methyl-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]-4-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 9153234) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is 2-methyl-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]-4-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]-4-phenyl-1,3-thiazole-5-carboxamide
PubChem CID9153234
Molecular FormulaC19H21N5O2S
Molecular Weight383.48 g/mol
Exact Mass383.14
IUPAC Name2-methyl-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]-4-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)c(C(=O)NCC(=O)Nc2c(C)nn(C)c2C)s1
InChIInChI=1S/C19H21N5O2S/c1-11-16(12(2)24(4)23-11)22-15(25)10-20-19(26)18-17(21-13(3)27-18)14-8-6-5-7-9-14/h5-9H,10H2,1-4H3,(H,20,26)(H,22,25)
InChIKeyGSMNQGIXQHPFSJ-UHFFFAOYSA-N
XLogP2.84
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]-4-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-methyl-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]-4-phenyl-1,3-thiazole-5-carboxamide (CID 9153234) is 2-methyl-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]-4-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]-4-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-methyl-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]-4-phenyl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccccc2)c(C(=O)NCC(=O)Nc2c(C)nn(C)c2C)s1.
What is the InChIKey of 2-methyl-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]-4-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is GSMNQGIXQHPFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2S/c1-11-16(12(2)24(4)23-11)22-15(25)10-20-19(26)18-17(21-13(3)27-18)14-8-6-5-7-9-14/h5-9H,10H2,1-4H3,(H,20,26)(H,22,25).
What are the key properties of 2-methyl-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]-4-phenyl-1,3-thiazole-5-carboxamide?
2-methyl-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]-4-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 383.48 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]-4-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 9153234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).