N-(1-cyanopropyl)-2-(2-ethyl-1,3-thiazol-4-yl)acetamide

C11H15N3OS — CID 56823340

IUPACN-(1-cyanopropyl)-2-(2-ethyl-1,3-thiazol-4-yl)acetamide
SMILESCCc1nc(CC(=O)NC(C#N)CC)cs1
InChIInChI=1S/C11H15N3OS/c1-3-8(6-12)13-10(15)5-9-7-16-11(4-2)14-9/h7-8H,3-5H2,1-2H3,(H,13,15)
InChIKeyQUOPJZJLYZXOBB-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.67
Rot. Bonds5

About N-(1-cyanopropyl)-2-(2-ethyl-1,3-thiazol-4-yl)acetamide

N-(1-cyanopropyl)-2-(2-ethyl-1,3-thiazol-4-yl)acetamide (PubChem CID 56823340) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is N-(1-cyanopropyl)-2-(2-ethyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(1-cyanopropyl)-2-(2-ethyl-1,3-thiazol-4-yl)acetamide
PubChem CID56823340
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC NameN-(1-cyanopropyl)-2-(2-ethyl-1,3-thiazol-4-yl)acetamide
SMILESCCc1nc(CC(=O)NC(C#N)CC)cs1
InChIInChI=1S/C11H15N3OS/c1-3-8(6-12)13-10(15)5-9-7-16-11(4-2)14-9/h7-8H,3-5H2,1-2H3,(H,13,15)
InChIKeyQUOPJZJLYZXOBB-UHFFFAOYSA-N
XLogP1.67
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 45813059
N,N-diethyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 45819395
N-methyl-N-[2-(methylamino)-2-oxoethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 45887778
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 47031356
N-ethyl-N-[2-(methylamino)-2-oxoethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 47035836
N-(1-acetylpiperidin-4-yl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide
CID 53554580
2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(1-methylpiperidin-4-yl)acetamide
CID 53557253
2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(1-cyclopropylpyrrolidin-3-yl)acetamide
CID 53568710
N-(1-cyanobutyl)-2-(2-ethyl-1,3-thiazol-4-yl)acetamide
CID 53574570
N-(1-cyano-3-methylbutyl)-2-(2-ethyl-1,3-thiazol-4-yl)acetamide
CID 53576193
2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(1-ethylpiperidin-4-yl)acetamide
CID 53592083
N-[(1S,2R)-2-[(1-ethylpiperidin-4-yl)amino]cyclobutyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 56905883

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanopropyl)-2-(2-ethyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(1-cyanopropyl)-2-(2-ethyl-1,3-thiazol-4-yl)acetamide (CID 56823340) is N-(1-cyanopropyl)-2-(2-ethyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(1-cyanopropyl)-2-(2-ethyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(1-cyanopropyl)-2-(2-ethyl-1,3-thiazol-4-yl)acetamide is CCc1nc(CC(=O)NC(C#N)CC)cs1.
What is the InChIKey of N-(1-cyanopropyl)-2-(2-ethyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is QUOPJZJLYZXOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-3-8(6-12)13-10(15)5-9-7-16-11(4-2)14-9/h7-8H,3-5H2,1-2H3,(H,13,15).
What are the key properties of N-(1-cyanopropyl)-2-(2-ethyl-1,3-thiazol-4-yl)acetamide?
N-(1-cyanopropyl)-2-(2-ethyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 237.33 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanopropyl)-2-(2-ethyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 56823340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).