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

C13H19N3O2S — CID 4052980

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

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

N-cyclopropyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]butanamide (PubChem CID 4052980) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-cyclopropyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]butanamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]butanamide
PubChem CID4052980
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC NameN-cyclopropyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]butanamide
SMILESCCCC(=O)N(CC(=O)Nc1ncc(C)s1)C1CC1
InChIInChI=1S/C13H19N3O2S/c1-3-4-12(18)16(10-5-6-10)8-11(17)15-13-14-7-9(2)19-13/h7,10H,3-6,8H2,1-2H3,(H,14,15,17)
InChIKeyZVMZPCTYAUQFKW-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[cyclopropyl-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]carbamoyl]amino]acetate
CID 42770878
N-cyclopropyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclohexanecarboxamide
CID 813355
2-[cyclopropyl-(2-phenoxyacetyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 4052985
2-[cyclopropyl(methylsulfonyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 42664152
N-butyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopentanecarboxamide
CID 42663885
N-cyclohexyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]butanamide
CID 4217524
2-[ethylsulfonyl(2-methylpropyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 42770884
4-chloro-N-cyclopropyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-3-nitrobenzamide
CID 42770793
3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 84564574
2-[butyl(dimethylcarbamoyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 3424676
1-methyl-3-(5-methyl-1,3-thiazol-2-yl)-1-(1-pent-1-en-2-ylpiperidin-4-yl)urea
CID 163494286
N-(5-methyl-1,3-thiazol-2-yl)-4-oxopentanamide
CID 65416516

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]butanamide?
The IUPAC name of N-cyclopropyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]butanamide (CID 4052980) is N-cyclopropyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]butanamide.
What is the SMILES notation for N-cyclopropyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]butanamide?
The canonical SMILES for N-cyclopropyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]butanamide is CCCC(=O)N(CC(=O)Nc1ncc(C)s1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]butanamide?
The InChIKey is ZVMZPCTYAUQFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-3-4-12(18)16(10-5-6-10)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-cyclopropyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]butanamide?
N-cyclopropyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]butanamide has a molecular weight of 281.38 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]butanamide is sourced from PubChem (CID 4052980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).