N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-3-(2-methylpyrazol-3-yl)propanamide

C14H20N4OS — CID 118767873

IUPACN-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-3-(2-methylpyrazol-3-yl)propanamide
SMILESCCc1csc(CCNC(=O)CCc2ccnn2C)n1
InChIInChI=1S/C14H20N4OS/c1-3-11-10-20-14(17-11)7-8-15-13(19)5-4-12-6-9-16-18(12)2/h6,9-10H,3-5,7-8H2,1-2H3,(H,15,19)
InChIKeyNOONVLCKGKJRCZ-UHFFFAOYSA-N
MW292.41 g/mol
LogP1.73
Rot. Bonds7

About N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-3-(2-methylpyrazol-3-yl)propanamide

N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-3-(2-methylpyrazol-3-yl)propanamide (PubChem CID 118767873) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-3-(2-methylpyrazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-3-(2-methylpyrazol-3-yl)propanamide
PubChem CID118767873
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC NameN-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-3-(2-methylpyrazol-3-yl)propanamide
SMILESCCc1csc(CCNC(=O)CCc2ccnn2C)n1
InChIInChI=1S/C14H20N4OS/c1-3-11-10-20-14(17-11)7-8-15-13(19)5-4-12-6-9-16-18(12)2/h6,9-10H,3-5,7-8H2,1-2H3,(H,15,19)
InChIKeyNOONVLCKGKJRCZ-UHFFFAOYSA-N
XLogP1.73
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 51.73
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-1,3-thiazol-2-yl)ethyl]-3-(2-methylpyrazol-3-yl)propanamide?
The IUPAC name of N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-3-(2-methylpyrazol-3-yl)propanamide (CID 118767873) is N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-3-(2-methylpyrazol-3-yl)propanamide.
What is the SMILES notation for N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-3-(2-methylpyrazol-3-yl)propanamide?
The canonical SMILES for N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-3-(2-methylpyrazol-3-yl)propanamide is CCc1csc(CCNC(=O)CCc2ccnn2C)n1.
What is the InChIKey of N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-3-(2-methylpyrazol-3-yl)propanamide?
The InChIKey is NOONVLCKGKJRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-3-11-10-20-14(17-11)7-8-15-13(19)5-4-12-6-9-16-18(12)2/h6,9-10H,3-5,7-8H2,1-2H3,(H,15,19).
What are the key properties of N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-3-(2-methylpyrazol-3-yl)propanamide?
N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-3-(2-methylpyrazol-3-yl)propanamide has a molecular weight of 292.41 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-3-(2-methylpyrazol-3-yl)propanamide is sourced from PubChem (CID 118767873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).