N-(2-phenoxyethyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide

C18H20N4O2S — CID 117086903

IUPACN-(2-phenoxyethyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nn(C)c(C)c1-c1ncc(C(=O)NCCOc2ccccc2)s1
InChIInChI=1S/C18H20N4O2S/c1-12-16(13(2)22(3)21-12)18-20-11-15(25-18)17(23)19-9-10-24-14-7-5-4-6-8-14/h4-8,11H,9-10H2,1-3H3,(H,19,23)
InChIKeyCFBPNRSVLDYIJN-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.97
Rot. Bonds6

About N-(2-phenoxyethyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide

N-(2-phenoxyethyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide (PubChem CID 117086903) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-(2-phenoxyethyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-phenoxyethyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
PubChem CID117086903
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC NameN-(2-phenoxyethyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nn(C)c(C)c1-c1ncc(C(=O)NCCOc2ccccc2)s1
InChIInChI=1S/C18H20N4O2S/c1-12-16(13(2)22(3)21-12)18-20-11-15(25-18)17(23)19-9-10-24-14-7-5-4-6-8-14/h4-8,11H,9-10H2,1-3H3,(H,19,23)
InChIKeyCFBPNRSVLDYIJN-UHFFFAOYSA-N
XLogP2.97
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxyethyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-phenoxyethyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide (CID 117086903) is N-(2-phenoxyethyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-phenoxyethyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-phenoxyethyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide is Cc1nn(C)c(C)c1-c1ncc(C(=O)NCCOc2ccccc2)s1.
What is the InChIKey of N-(2-phenoxyethyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is CFBPNRSVLDYIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-12-16(13(2)22(3)21-12)18-20-11-15(25-18)17(23)19-9-10-24-14-7-5-4-6-8-14/h4-8,11H,9-10H2,1-3H3,(H,19,23).
What are the key properties of N-(2-phenoxyethyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide?
N-(2-phenoxyethyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 356.45 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxyethyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 117086903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).