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

C14H20N4OS — CID 86847550

IUPAC2-ethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCCc1ncc(C(=O)NCCc2c(C)nn(C)c2C)s1
InChIInChI=1S/C14H20N4OS/c1-5-13-16-8-12(20-13)14(19)15-7-6-11-9(2)17-18(4)10(11)3/h8H,5-7H2,1-4H3,(H,15,19)
InChIKeyXPFIFIMRXHXROF-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.03
Rot. Bonds5

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

2-ethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 86847550) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 2-ethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,3-thiazole-5-carboxamide
PubChem CID86847550
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name2-ethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCCc1ncc(C(=O)NCCc2c(C)nn(C)c2C)s1
InChIInChI=1S/C14H20N4OS/c1-5-13-16-8-12(20-13)14(19)15-7-6-11-9(2)17-18(4)10(11)3/h8H,5-7H2,1-4H3,(H,15,19)
InChIKeyXPFIFIMRXHXROF-UHFFFAOYSA-N
XLogP2.03
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-1-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrazole-4-carboxamide
CID 82546172
2,5-dichloro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-3-carboxamide
CID 86930029
2,5-dimethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide
CID 87025021
2-ethyl-N-[2-(furan-3-carbonylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 47426643
2-ethyl-N-(3-hydroxybutyl)-1,3-thiazole-5-carboxamide
CID 111433740
2-chloro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
CID 86768025
3-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2-oxazole-5-carboxamide
CID 86930017
4-phenyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
CID 110717254
3,5-dimethoxy-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
CID 86768030
N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pentanamide
CID 86930102
N-[3-(1,3-dioxoisoindol-2-yl)propyl]-2-ethyl-1,3-thiazole-5-carboxamide
CID 155946342
2,2,2-trifluoro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
CID 110443234

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-ethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,3-thiazole-5-carboxamide (CID 86847550) is 2-ethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-ethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-ethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,3-thiazole-5-carboxamide is CCc1ncc(C(=O)NCCc2c(C)nn(C)c2C)s1.
What is the InChIKey of 2-ethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is XPFIFIMRXHXROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-5-13-16-8-12(20-13)14(19)15-7-6-11-9(2)17-18(4)10(11)3/h8H,5-7H2,1-4H3,(H,15,19).
What are the key properties of 2-ethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,3-thiazole-5-carboxamide?
2-ethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 292.41 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 86847550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).