N-ethyl-N-[4-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide

C14H21N5OS — CID 43665494

IUPACN-ethyl-N-[4-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCN(C(C)=O)c1nc(CNc2c(C)nn(C)c2C)cs1
InChIInChI=1S/C14H21N5OS/c1-6-19(11(4)20)14-16-12(8-21-14)7-15-13-9(2)17-18(5)10(13)3/h8,15H,6-7H2,1-5H3
InChIKeyXEDQVQSWBQFXJI-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.48
Rot. Bonds5

About N-ethyl-N-[4-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide

N-ethyl-N-[4-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 43665494) has the molecular formula C14H21N5OS and a molecular weight of 307.42 g/mol. Its IUPAC name is N-ethyl-N-[4-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[4-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID43665494
Molecular FormulaC14H21N5OS
Molecular Weight307.42 g/mol
Exact Mass307.15
IUPAC NameN-ethyl-N-[4-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCN(C(C)=O)c1nc(CNc2c(C)nn(C)c2C)cs1
InChIInChI=1S/C14H21N5OS/c1-6-19(11(4)20)14-16-12(8-21-14)7-15-13-9(2)17-18(5)10(13)3/h8,15H,6-7H2,1-5H3
InChIKeyXEDQVQSWBQFXJI-UHFFFAOYSA-N
XLogP2.48
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[4-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-ethyl-N-[4-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide (CID 43665494) is N-ethyl-N-[4-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-ethyl-N-[4-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-ethyl-N-[4-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide is CCN(C(C)=O)c1nc(CNc2c(C)nn(C)c2C)cs1.
What is the InChIKey of N-ethyl-N-[4-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is XEDQVQSWBQFXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5OS/c1-6-19(11(4)20)14-16-12(8-21-14)7-15-13-9(2)17-18(5)10(13)3/h8,15H,6-7H2,1-5H3.
What are the key properties of N-ethyl-N-[4-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide?
N-ethyl-N-[4-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 307.42 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[4-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 43665494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).