1-methyl-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide

C20H16N4O2S — CID 42110939

IUPAC1-methyl-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide
SMILESCn1ccc(C(=O)Nc2nc(-c3ccc(Oc4ccccc4)cc3)cs2)n1
InChIInChI=1S/C20H16N4O2S/c1-24-12-11-17(23-24)19(25)22-20-21-18(13-27-20)14-7-9-16(10-8-14)26-15-5-3-2-4-6-15/h2-13H,1H3,(H,21,22,25)
InChIKeyAVZDVAQFSCZSCP-UHFFFAOYSA-N
MW376.44 g/mol
LogP4.59
Rot. Bonds5

About 1-methyl-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide

1-methyl-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide (PubChem CID 42110939) has the molecular formula C20H16N4O2S and a molecular weight of 376.44 g/mol. Its IUPAC name is 1-methyl-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide
PubChem CID42110939
Molecular FormulaC20H16N4O2S
Molecular Weight376.44 g/mol
Exact Mass376.10
IUPAC Name1-methyl-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide
SMILESCn1ccc(C(=O)Nc2nc(-c3ccc(Oc4ccccc4)cc3)cs2)n1
InChIInChI=1S/C20H16N4O2S/c1-24-12-11-17(23-24)19(25)22-20-21-18(13-27-20)14-7-9-16(10-8-14)26-15-5-3-2-4-6-15/h2-13H,1H3,(H,21,22,25)
InChIKeyAVZDVAQFSCZSCP-UHFFFAOYSA-N
XLogP4.59
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide?
The IUPAC name of 1-methyl-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide (CID 42110939) is 1-methyl-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide is Cn1ccc(C(=O)Nc2nc(-c3ccc(Oc4ccccc4)cc3)cs2)n1.
What is the InChIKey of 1-methyl-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide?
The InChIKey is AVZDVAQFSCZSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2S/c1-24-12-11-17(23-24)19(25)22-20-21-18(13-27-20)14-7-9-16(10-8-14)26-15-5-3-2-4-6-15/h2-13H,1H3,(H,21,22,25).
What are the key properties of 1-methyl-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide?
1-methyl-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide has a molecular weight of 376.44 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 42110939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).