N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propylcyclopropanecarboxamide

C13H19N3O2S — CID 813377

IUPACN-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propylcyclopropanecarboxamide
SMILESCCCN(CC(=O)Nc1ncc(C)s1)C(=O)C1CC1
InChIInChI=1S/C13H19N3O2S/c1-3-6-16(12(18)10-4-5-10)8-11(17)15-13-14-7-9(2)19-13/h7,10H,3-6,8H2,1-2H3,(H,14,15,17)
InChIKeyYKQJYGNZSPTINM-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.04
Rot. Bonds6

About N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propylcyclopropanecarboxamide

N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propylcyclopropanecarboxamide (PubChem CID 813377) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propylcyclopropanecarboxamide
PubChem CID813377
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC NameN-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propylcyclopropanecarboxamide
SMILESCCCN(CC(=O)Nc1ncc(C)s1)C(=O)C1CC1
InChIInChI=1S/C13H19N3O2S/c1-3-6-16(12(18)10-4-5-10)8-11(17)15-13-14-7-9(2)19-13/h7,10H,3-6,8H2,1-2H3,(H,14,15,17)
InChIKeyYKQJYGNZSPTINM-UHFFFAOYSA-N
XLogP2.04
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propylcyclopropanecarboxamide?
The IUPAC name of N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propylcyclopropanecarboxamide (CID 813377) is N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propylcyclopropanecarboxamide.
What is the SMILES notation for N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propylcyclopropanecarboxamide?
The canonical SMILES for N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propylcyclopropanecarboxamide is CCCN(CC(=O)Nc1ncc(C)s1)C(=O)C1CC1.
What is the InChIKey of N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propylcyclopropanecarboxamide?
The InChIKey is YKQJYGNZSPTINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-3-6-16(12(18)10-4-5-10)8-11(17)15-13-14-7-9(2)19-13/h7,10H,3-6,8H2,1-2H3,(H,14,15,17).
What are the key properties of N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propylcyclopropanecarboxamide?
N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propylcyclopropanecarboxamide has a molecular weight of 281.38 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propylcyclopropanecarboxamide is sourced from PubChem (CID 813377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).