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

C14H20N4OS — CID 50973597

IUPACN-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCCc1c(C)nn(CCNC(=O)c2csc(C)n2)c1C
InChIInChI=1S/C14H20N4OS/c1-5-12-9(2)17-18(10(12)3)7-6-15-14(19)13-8-20-11(4)16-13/h8H,5-7H2,1-4H3,(H,15,19)
InChIKeyLRPXIFORFXRVDH-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.26
Rot. Bonds5

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

N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 50973597) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID50973597
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC NameN-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCCc1c(C)nn(CCNC(=O)c2csc(C)n2)c1C
InChIInChI=1S/C14H20N4OS/c1-5-12-9(2)17-18(10(12)3)7-6-15-14(19)13-8-20-11(4)16-13/h8H,5-7H2,1-4H3,(H,15,19)
InChIKeyLRPXIFORFXRVDH-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide (CID 50973597) is N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide is CCc1c(C)nn(CCNC(=O)c2csc(C)n2)c1C.
What is the InChIKey of N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is LRPXIFORFXRVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-5-12-9(2)17-18(10(12)3)7-6-15-14(19)13-8-20-11(4)16-13/h8H,5-7H2,1-4H3,(H,15,19).
What are the key properties of N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide?
N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 292.41 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 50973597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).