N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-3-(1H-pyrazol-4-yl)propanamide

C12H16N4OS — CID 131919090

IUPACN-[(4-ethyl-1,3-thiazol-2-yl)methyl]-3-(1H-pyrazol-4-yl)propanamide
SMILESCCc1csc(CNC(=O)CCc2cn[nH]c2)n1
InChIInChI=1S/C12H16N4OS/c1-2-10-8-18-12(16-10)7-13-11(17)4-3-9-5-14-15-6-9/h5-6,8H,2-4,7H2,1H3,(H,13,17)(H,14,15)
InChIKeyAAGFUNCVCYCCAJ-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.68
Rot. Bonds6

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

N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-3-(1H-pyrazol-4-yl)propanamide (PubChem CID 131919090) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-3-(1H-pyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[(4-ethyl-1,3-thiazol-2-yl)methyl]-3-(1H-pyrazol-4-yl)propanamide
PubChem CID131919090
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC NameN-[(4-ethyl-1,3-thiazol-2-yl)methyl]-3-(1H-pyrazol-4-yl)propanamide
SMILESCCc1csc(CNC(=O)CCc2cn[nH]c2)n1
InChIInChI=1S/C12H16N4OS/c1-2-10-8-18-12(16-10)7-13-11(17)4-3-9-5-14-15-6-9/h5-6,8H,2-4,7H2,1H3,(H,13,17)(H,14,15)
InChIKeyAAGFUNCVCYCCAJ-UHFFFAOYSA-N
XLogP1.68
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-3-(1H-pyrazol-4-yl)propanamide?
The IUPAC name of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-3-(1H-pyrazol-4-yl)propanamide (CID 131919090) is N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-3-(1H-pyrazol-4-yl)propanamide.
What is the SMILES notation for N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-3-(1H-pyrazol-4-yl)propanamide?
The canonical SMILES for N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-3-(1H-pyrazol-4-yl)propanamide is CCc1csc(CNC(=O)CCc2cn[nH]c2)n1.
What is the InChIKey of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-3-(1H-pyrazol-4-yl)propanamide?
The InChIKey is AAGFUNCVCYCCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-2-10-8-18-12(16-10)7-13-11(17)4-3-9-5-14-15-6-9/h5-6,8H,2-4,7H2,1H3,(H,13,17)(H,14,15).
What are the key properties of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-3-(1H-pyrazol-4-yl)propanamide?
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-3-(1H-pyrazol-4-yl)propanamide has a molecular weight of 264.35 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-3-(1H-pyrazol-4-yl)propanamide is sourced from PubChem (CID 131919090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).