N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-ethylbutanamide

C13H20N2OS — CID 75358505

IUPACN-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCc1csc(C2CC2)n1
InChIInChI=1S/C13H20N2OS/c1-3-9(4-2)12(16)14-7-11-8-17-13(15-11)10-5-6-10/h8-10H,3-7H2,1-2H3,(H,14,16)
InChIKeyJOUBFXVGNQSWTJ-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.07
Rot. Bonds6

About N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-ethylbutanamide

N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-ethylbutanamide (PubChem CID 75358505) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-ethylbutanamide
PubChem CID75358505
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC NameN-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCc1csc(C2CC2)n1
InChIInChI=1S/C13H20N2OS/c1-3-9(4-2)12(16)14-7-11-8-17-13(15-11)10-5-6-10/h8-10H,3-7H2,1-2H3,(H,14,16)
InChIKeyJOUBFXVGNQSWTJ-UHFFFAOYSA-N
XLogP3.07
TPSA41.99 Ų
H-Bond Donors1
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 ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 61281051
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-methylpyrazole-3-carboxamide
CID 95749571
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-4-methylthiadiazole-5-carboxamide
CID 95749634
3,4-dichloro-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]benzamide
CID 95324619
2-[(2-cyclopropyl-1,3-thiazol-4-yl)methylamino]propan-1-ol
CID 115656408
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-ethoxy-1H-pyrazole-5-carboxamide
CID 95749654
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-methylbutan-2-amine
CID 115625561
2-methyl-N-[[2-(1-propanoylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]propanamide
CID 71842061
N-[[2-(1-acetylpiperidin-4-yl)-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide
CID 87050213
2,4-dichloro-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]benzamide
CID 95324628
N-[[2-[1-(2-cyclohexylacetyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide
CID 53149358
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3,6-dimethyl-1-benzofuran-2-carboxamide
CID 95749640

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-ethylbutanamide?
The IUPAC name of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-ethylbutanamide (CID 75358505) is N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-ethylbutanamide.
What is the SMILES notation for N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-ethylbutanamide?
The canonical SMILES for N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-ethylbutanamide is CCC(CC)C(=O)NCc1csc(C2CC2)n1.
What is the InChIKey of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-ethylbutanamide?
The InChIKey is JOUBFXVGNQSWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-3-9(4-2)12(16)14-7-11-8-17-13(15-11)10-5-6-10/h8-10H,3-7H2,1-2H3,(H,14,16).
What are the key properties of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-ethylbutanamide?
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-ethylbutanamide has a molecular weight of 252.38 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-ethylbutanamide is sourced from PubChem (CID 75358505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).