N-[4-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide

C13H19N5OS — CID 43665620

IUPACN-[4-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
SMILESCCN(C(C)=O)c1nc(CNc2c(C)n[nH]c2C)cs1
InChIInChI=1S/C13H19N5OS/c1-5-18(10(4)19)13-15-11(7-20-13)6-14-12-8(2)16-17-9(12)3/h7,14H,5-6H2,1-4H3,(H,16,17)
InChIKeyUSYZMKRLXKYAMU-UHFFFAOYSA-N
MW293.40 g/mol
LogP2.47
Rot. Bonds5

About N-[4-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide

N-[4-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide (PubChem CID 43665620) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is N-[4-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide.

Molecular Properties

Compound NameN-[4-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
PubChem CID43665620
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC NameN-[4-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
SMILESCCN(C(C)=O)c1nc(CNc2c(C)n[nH]c2C)cs1
InChIInChI=1S/C13H19N5OS/c1-5-18(10(4)19)13-15-11(7-20-13)6-14-12-8(2)16-17-9(12)3/h7,14H,5-6H2,1-4H3,(H,16,17)
InChIKeyUSYZMKRLXKYAMU-UHFFFAOYSA-N
XLogP2.47
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide?
The IUPAC name of N-[4-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide (CID 43665620) is N-[4-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide.
What is the SMILES notation for N-[4-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide?
The canonical SMILES for N-[4-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide is CCN(C(C)=O)c1nc(CNc2c(C)n[nH]c2C)cs1.
What is the InChIKey of N-[4-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide?
The InChIKey is USYZMKRLXKYAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-5-18(10(4)19)13-15-11(7-20-13)6-14-12-8(2)16-17-9(12)3/h7,14H,5-6H2,1-4H3,(H,16,17).
What are the key properties of N-[4-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide?
N-[4-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide has a molecular weight of 293.40 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide is sourced from PubChem (CID 43665620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).