2-cyano-2-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]butanamide

C12H17N3OS — CID 63825896

IUPAC2-cyano-2-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]butanamide
SMILESCCC(C#N)(CC)C(=O)NCCc1cscn1
InChIInChI=1S/C12H17N3OS/c1-3-12(4-2,8-13)11(16)14-6-5-10-7-17-9-15-10/h7,9H,3-6H2,1-2H3,(H,14,16)
InChIKeyOCLIGYABSSKRDA-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.13
Rot. Bonds6

About 2-cyano-2-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]butanamide

2-cyano-2-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]butanamide (PubChem CID 63825896) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is 2-cyano-2-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]butanamide.

Molecular Properties

Compound Name2-cyano-2-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]butanamide
PubChem CID63825896
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name2-cyano-2-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]butanamide
SMILESCCC(C#N)(CC)C(=O)NCCc1cscn1
InChIInChI=1S/C12H17N3OS/c1-3-12(4-2,8-13)11(16)14-6-5-10-7-17-9-15-10/h7,9H,3-6H2,1-2H3,(H,14,16)
InChIKeyOCLIGYABSSKRDA-UHFFFAOYSA-N
XLogP2.13
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-2-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]butanamide
CID 115432547
3-amino-2,2,3-trimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]butanamide
CID 65266866
3-amino-2,2-dimethyl-3-sulfanylidene-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide
CID 63826251
3,5-dimethoxy-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 110284873
1-propyl-3-[2-(1,3-thiazol-4-yl)ethyl]thiourea
CID 115731914
2-cyano-2-ethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide
CID 106417457
2-[ethyl-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]amino]-2-methylpropanoic acid
CID 63824166
2-carbamothioyl-N-[2-(1,3-thiazol-4-yl)ethyl]butanamide
CID 63826075
N-(cyanomethyl)-N'-(1,3-thiazol-4-ylmethyl)oxamide
CID 63824471
3-(4-tert-butylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide
CID 110624727
3-amino-2-methoxy-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide
CID 106112900
2-cyano-2-ethyl-N-[2-(3-methoxyphenyl)ethyl]butanamide
CID 107853084

Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]butanamide?
The IUPAC name of 2-cyano-2-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]butanamide (CID 63825896) is 2-cyano-2-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]butanamide.
What is the SMILES notation for 2-cyano-2-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]butanamide?
The canonical SMILES for 2-cyano-2-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]butanamide is CCC(C#N)(CC)C(=O)NCCc1cscn1.
What is the InChIKey of 2-cyano-2-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]butanamide?
The InChIKey is OCLIGYABSSKRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-3-12(4-2,8-13)11(16)14-6-5-10-7-17-9-15-10/h7,9H,3-6H2,1-2H3,(H,14,16).
What are the key properties of 2-cyano-2-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]butanamide?
2-cyano-2-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]butanamide has a molecular weight of 251.35 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]butanamide is sourced from PubChem (CID 63825896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).