N-cyclopropyl-2-ethyl-N-(1,3-thiazol-2-ylmethyl)butanamide

C13H20N2OS — CID 110715827

IUPACN-cyclopropyl-2-ethyl-N-(1,3-thiazol-2-ylmethyl)butanamide
SMILESCCC(CC)C(=O)N(Cc1nccs1)C1CC1
InChIInChI=1S/C13H20N2OS/c1-3-10(4-2)13(16)15(11-5-6-11)9-12-14-7-8-17-12/h7-8,10-11H,3-6,9H2,1-2H3
InChIKeyAGYZLUDXVMVKJN-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.07
Rot. Bonds6

About N-cyclopropyl-2-ethyl-N-(1,3-thiazol-2-ylmethyl)butanamide

N-cyclopropyl-2-ethyl-N-(1,3-thiazol-2-ylmethyl)butanamide (PubChem CID 110715827) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is N-cyclopropyl-2-ethyl-N-(1,3-thiazol-2-ylmethyl)butanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-ethyl-N-(1,3-thiazol-2-ylmethyl)butanamide
PubChem CID110715827
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC NameN-cyclopropyl-2-ethyl-N-(1,3-thiazol-2-ylmethyl)butanamide
SMILESCCC(CC)C(=O)N(Cc1nccs1)C1CC1
InChIInChI=1S/C13H20N2OS/c1-3-10(4-2)13(16)15(11-5-6-11)9-12-14-7-8-17-12/h7-8,10-11H,3-6,9H2,1-2H3
InChIKeyAGYZLUDXVMVKJN-UHFFFAOYSA-N
XLogP3.07
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-ethyl-N-(1,3-thiazol-2-ylmethyl)butanamide?
The IUPAC name of N-cyclopropyl-2-ethyl-N-(1,3-thiazol-2-ylmethyl)butanamide (CID 110715827) is N-cyclopropyl-2-ethyl-N-(1,3-thiazol-2-ylmethyl)butanamide.
What is the SMILES notation for N-cyclopropyl-2-ethyl-N-(1,3-thiazol-2-ylmethyl)butanamide?
The canonical SMILES for N-cyclopropyl-2-ethyl-N-(1,3-thiazol-2-ylmethyl)butanamide is CCC(CC)C(=O)N(Cc1nccs1)C1CC1.
What is the InChIKey of N-cyclopropyl-2-ethyl-N-(1,3-thiazol-2-ylmethyl)butanamide?
The InChIKey is AGYZLUDXVMVKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-3-10(4-2)13(16)15(11-5-6-11)9-12-14-7-8-17-12/h7-8,10-11H,3-6,9H2,1-2H3.
What are the key properties of N-cyclopropyl-2-ethyl-N-(1,3-thiazol-2-ylmethyl)butanamide?
N-cyclopropyl-2-ethyl-N-(1,3-thiazol-2-ylmethyl)butanamide has a molecular weight of 252.38 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-ethyl-N-(1,3-thiazol-2-ylmethyl)butanamide is sourced from PubChem (CID 110715827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).