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

C14H20N4OS — CID 138036785

IUPACN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-(2-methylpyrazol-3-yl)propanamide
SMILESCCc1nc(CN(C)C(=O)C(C)c2ccnn2C)cs1
InChIInChI=1S/C14H20N4OS/c1-5-13-16-11(9-20-13)8-17(3)14(19)10(2)12-6-7-15-18(12)4/h6-7,9-10H,5,8H2,1-4H3
InChIKeyDNIZTXDUFNVKAM-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.20
Rot. Bonds5

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

N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-(2-methylpyrazol-3-yl)propanamide (PubChem CID 138036785) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-(2-methylpyrazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-(2-methylpyrazol-3-yl)propanamide
PubChem CID138036785
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC NameN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-(2-methylpyrazol-3-yl)propanamide
SMILESCCc1nc(CN(C)C(=O)C(C)c2ccnn2C)cs1
InChIInChI=1S/C14H20N4OS/c1-5-13-16-11(9-20-13)8-17(3)14(19)10(2)12-6-7-15-18(12)4/h6-7,9-10H,5,8H2,1-4H3
InChIKeyDNIZTXDUFNVKAM-UHFFFAOYSA-N
XLogP2.20
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-(2-methylpyrazol-3-yl)propanamide?
The IUPAC name of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-(2-methylpyrazol-3-yl)propanamide (CID 138036785) is N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-(2-methylpyrazol-3-yl)propanamide.
What is the SMILES notation for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-(2-methylpyrazol-3-yl)propanamide?
The canonical SMILES for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-(2-methylpyrazol-3-yl)propanamide is CCc1nc(CN(C)C(=O)C(C)c2ccnn2C)cs1.
What is the InChIKey of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-(2-methylpyrazol-3-yl)propanamide?
The InChIKey is DNIZTXDUFNVKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-5-13-16-11(9-20-13)8-17(3)14(19)10(2)12-6-7-15-18(12)4/h6-7,9-10H,5,8H2,1-4H3.
What are the key properties of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-(2-methylpyrazol-3-yl)propanamide?
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-(2-methylpyrazol-3-yl)propanamide has a molecular weight of 292.41 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-(2-methylpyrazol-3-yl)propanamide is sourced from PubChem (CID 138036785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).